Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | TPMT | P51580 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11376411 | 0.88 | CA12 (0.56) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11369147 | 0.88 | NPC1 (0.49) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7146354 | 0.85 | ALDH1A1 (0.55) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Bromide SCHEMBL6276177 | 0.84 | ALDH1A1 (0.53) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3753646 | 0.82 | TSHR (0.58) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28332378 | 0.81 | CA12 (0.65) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10026167 | 0.81 | TSHR (0.61) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4389663 | 0.81 | ACHE (0.59) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7798981 | 0.81 | TSHR (0.56) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11826687 | 0.81 | TSHR (0.56) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 |
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-4168315-A | ANTICOAGULANTS | THE UPJOHN COMPANY (US) | 1979-09-18 | — | — | US | disclosed |