Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 2/20 | 0.37 |
| ▸ | ADH1A | P07327 | 2/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.37 |
| ▸ | ADH4 | P08319 | 1/20 | 0.37 |
| ▸ | ADH7 | P40394 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL867085 | 1.00 | CYP1A2 (0.40) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL5276 | 1.00 | — | — | |
| SCHEMBL5143 | 1.00 | CYP1A2 (0.40) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL4325 | 1.00 | CYP1A2 (0.40) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL5241 | 0.97 | — | — | |
| SCHEMBL5481 | 0.91 | — | — | |
| SCHEMBL5172 | 0.84 | — | — | |
| SCHEMBL818572 | 0.78 | NOS2 (0.46) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL818573 | 0.78 | NOS2 (0.46) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL10597539 | 0.78 | NOS2 (0.46) | CYP1A2ADH1CADH1AADH1BADH4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120108422-A1 | Antifungal 1,2,4-triazolyl Derivatives | BASF SE (DE) | 2012-05-03 | — | — | US | disclosed |
| EP-2443097-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2012-04-25 | — | — | EP | disclosed |
| EP-2443099-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT | BASF SE (DE) | 2012-04-25 | — | — | EP | disclosed |
| EP-2443109-A1 | TRIAZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT | BASF SE (DE) | 2012-04-25 | — | — | EP | disclosed |
| EP-2443098-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2012-04-25 | — | — | EP | disclosed |
| EP-2440535-A1 | ANTIFUNGAL 1,2,4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT | BASF SE (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-20120088663-A1 | Triazole Compounds Carrying a Sulfur Substituent | BASF SE (DE) | 2012-04-12 | — | — | US | disclosed |
| US-20120088660-A1 | Antifungal 1,2,4-triazolyl Derivatives | BASF SE (DE) | 2012-04-12 | — | — | US | disclosed |
| US-20120088664-A1 | Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent | BASF SE (DE) | 2012-04-12 | — | — | US | disclosed |
| US-20120077676-A1 | Antifungal 1,2,4-Triazolyl Derivatives Having a 5-Sulfur Substituent | BASF SE (DE) | 2012-03-29 | — | — | US | disclosed |
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010149758-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-29 | — | — | WO | disclosed |
| WO-2010146112-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010146111-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010146115-A1 | TRIAZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT | BASF SE (DE) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010146113-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT | BASF SE (DE) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010146114-A1 | TRIAZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT | BASF SE (DE) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010146116-A1 | TRIAZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT | BASF SE (DE) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010142779-A1 | ANTIFUNGAL 1,2,4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT | BASF SE (DE) | 2010-12-16 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120088660-A1 | Antifungal 1,2,4-triazolyl Derivatives | ERG28, CYP51A1, DPM1 | CYP1A2 26/4885ADH1C 4315/4885ADH1A 4065/4885 |
| US-20120088664-A1 | Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent | STS, TST, ERG28 | CYP1A2 85/4885ADH1C 4070/4885ADH1A 3849/4885 |
| US-20120088663-A1 | Triazole Compounds Carrying a Sulfur Substituent | TST, STS, SQOR | CYP1A2 37/4885ADH1C 4096/4885ADH1A 3799/4885 |
| US-20120108422-A1 | Antifungal 1,2,4-triazolyl Derivatives | ERG28, CYP51A1, DPM1 | CYP1A2 26/4885ADH1C 4315/4885ADH1A 4065/4885 |
| US-20120077676-A1 | Antifungal 1,2,4-Triazolyl Derivatives Having a 5-Sulfur Substituent | ERG28, STS, CYP51A1 | CYP1A2 44/4885ADH1C 4069/4885ADH1A 3851/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.