Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | FASN | P49327 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.45 |
| ▸ | CDK2 | P24941 | 3/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13106877 | 0.85 | CREBBP (0.53) | NPC1ALDH1A1MAPTHPGDALOX12 | |
| SCHEMBL31736832 | 0.80 | ALDH1A1 (0.58) | NPC1ALDH1A1MAPTRAB9AMGLL | |
| SCHEMBL5412948 | 0.78 | ROCK2 (0.62) | ACHEROCK2 | |
| SCHEMBL13106873 | 0.78 | FAAH (0.56) | NPC1ALDH1A1MAPTHPGDALOX12 | |
| SCHEMBL13106898 | 0.78 | NPC1 (0.45) | NPC1ALDH1A1MAPTHPGDALOX12 | |
| SCHEMBL5413248 | 0.77 | CA12 (0.53) | ALDH1A1ACHEROCK2 | |
| Hydrochloric Acid SCHEMBL5413188 | 0.77 | ROCK2 (0.61) | ALDH1A1ACHEROCK2KMT2A | |
| SCHEMBL5418331 | 0.77 | ROCK2 (0.71) | NPC1RAB9AROCK2CYP3A4 | |
| SCHEMBL13106880 | 0.76 | HRH3 (0.44) | NPC1ALDH1A1MAPTHPGDALOX12 | |
| SCHEMBL13106874 | 0.76 | KDM4E (0.51) | ADORA1ROCK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7812045-B2 | Antifungal triazole derivatives | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2010-10-12 | — | — | US | disclosed |
| US-20080194661-A1 | Antifungal Triazole Derivatives | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2008-08-14 | — | — | 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-20080194661-A1 | Antifungal Triazole Derivatives | ERG28, CYP51A1, CYP3A43 | NPC1 47/4885ALDH1A1 2752/4885MAPT 519/4885 |
“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.