Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL343001 | 0.82 | CYP2C19 (0.50) | CYP2C19TSHRALDH1A1LMNACYP1A2 | |
| SCHEMBL9851391 | 0.81 | LMNA (0.47) | CYP2C19LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18574459 | 0.73 | TSHR (0.50) | TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL28596370 | 0.73 | TSHR (0.50) | TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL5907085 | 0.73 | TSHR (0.50) | TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL7117825 | 0.72 | CYP2C19 (0.38) | CYP2C19 | |
| SCHEMBL7129002 | 0.72 | TSHR (0.38) | CYP2C19TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL461557 | 0.71 | CETP (0.46) | TSHRALDH1A1LMNATDP1MAPK1 | |
| SCHEMBL840436 | 0.69 | — | — | |
| SCHEMBL12559536 | 0.69 | — | — |
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-20200363419-A1 | A METHOD OF DIAGNOSING CANCER BASED ON LIPIDOMIC ANALYSIS OF A BODY FLUID | UNIVERZITA PARDUBICE (CZ) | 2020-11-19 | — | — | US | disclosed |
| US-4895853-A | Antitumor alkaloids | HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) | 1990-01-23 | — | — | US | disclosed |
| EP-0272056-A1 | New antitumor alkaloids | HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) | 1988-06-22 | — | — | EP | disclosed |