Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| SCHEMBL6903024 | 0.86 | CYP2C19 (0.50) | CYP2C19ALDH1A1LMNAHSD17B10CYP4F2 | |
| SCHEMBL12204121 | 0.80 | CYP4F2 (0.50) | CYP2C19ALDH1A1LMNAHSD17B10CYP4F2 | |
| SCHEMBL9875236 | 0.79 | CYP2C19 (0.42) | CYP2C19ALDH1A1LMNAHSD17B10CYP4F2 | |
| SCHEMBL7195368 | 0.78 | LMNA (0.39) | CYP2C19ALDH1A1LMNAHSD17B10APOBEC3A | |
| SCHEMBL11080332 | 0.78 | MME (0.37) | CYP2C19ALDH1A1LMNACYP4F2CYP4A11 | |
| SCHEMBL6741020 | 0.78 | CYP2C19 (0.43) | CYP2C19ALDH1A1LMNACYP4F2CYP4A11 | |
| SCHEMBL9875365 | 0.78 | ALDH1A1 (0.34) | ALDH1A1LMNAHSD17B10 | |
| SCHEMBL7608822 | 0.77 | ALDH1A1 (0.37) | ALDH1A1LMNAHSD17B10APOBEC3AAPOBEC3G | |
| SCHEMBL11255489 | 0.76 | EPHX1 (0.47) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL11255126 | 0.76 | MEN1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5095109-A | Antitumor | UNIVERSITY OF VERMONT (US) | 1992-03-10 | — | — | US | disclosed |
| WO-1990015061-A1 | NOVEL ALKALOIDS | THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) | 1990-12-13 | — | — | WO | disclosed |
| US-4935509-A | ANTITUMOR AGENTS | UNIVERSITY OF VERMONT (US) | 1990-06-19 | — | — | US | disclosed |