Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286194 | 0.84 | NPC1 (0.44) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL1709138 | 0.74 | GABRG2 (0.37) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL1285886 | 0.73 | NPC1 (0.33) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL5850166 | 0.64 | PARP1 (0.43) | ALDH1A1HPGDMEN1KMT2ANPC1 | |
| SCHEMBL1013567 | 0.63 | TRPV1 (0.58) | CYP1A2CYP3A4CYP2C19ALDH1A1DOT1L | |
| SCHEMBL1285877 | 0.62 | ALDH1A1 (0.38) | ALDH1A1TSHRHPGDMEN1KMT2A | |
| SCHEMBL16801763 | 0.62 | NQO2 (0.42) | ALDH1A1HPGDNPC1 | |
| SCHEMBL13544179 | 0.62 | ALDH1A1 (0.47) | CYP1A2ALDH1A1HPGD | |
| SCHEMBL21263175 | 0.62 | TYMS (0.38) | ALDH1A1HPGDMEN1KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL1285633 | 0.60 | ALDH1A1 (0.37) | ALDH1A1TSHRHPGDMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120088755-A1 | Novel Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-12 | — | — | US | 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 (1 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-20120088755-A1 | Novel Compounds | SLC26A4, F12, SLCO1B3 | CYP1A2 671/4885CYP3A4 399/4885CYP2D6 670/4885 |
“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.