Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.63 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | MTOR | P42345 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | C1S | P09871 | 1/20 | 0.52 |
| ▸ | KMO | O15229 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5023 | 0.98 | PARP1 (0.65) | PARP1MRGPRX4CA12CA1CA2 | |
| SCHEMBL29537403 | 0.98 | PARP1 (0.65) | PARP1MRGPRX4CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL698593 | 0.95 | PARP1 (0.63) | PARP1MRGPRX4CA12CA1CA2 | |
| Ethane SCHEMBL17336854 | 0.93 | PARP1 (0.61) | PARP1MRGPRX4CA12CA1CA2 | |
| 1,2-Dichloroethane SCHEMBL27913129 | 0.88 | PARP1 (0.55) | PARP1MRGPRX4CA12CA1CA2 | |
| Boric Acid SCHEMBL29232610 | 0.88 | PARP1 (0.55) | PARP1MRGPRX4CA12CA1CA2 | |
| SCHEMBL10344732 | 0.88 | PARP1 (0.55) | PARP1MRGPRX4CA12CA1CA2 | |
| Isophthalic Acid SCHEMBL28667980 | 0.86 | CA12 (0.56) | PARP1MRGPRX4CA12CA1CA2 | |
| Pyridine SCHEMBL28674978 | 0.86 | PARP1 (0.53) | PARP1MRGPRX4CA12CA1CA2 | |
| SCHEMBL30014390 | 0.85 | KMO (0.68) | PARP1MRGPRX4CA12CA1CA2 |
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-4172832-A | Mercaptoalcohols and process for their manufacture | CIBA-GEIGY CORPORATION (US) | 1979-10-30 | — | — | US | disclosed |