Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzenemethanethiol SCHEMBL23070590 | 0.85 | IDO1 (0.58) | IDO1ALDH1A1NAPRTHSD17B10CA1 | |
| SCHEMBL28067208 | 0.81 | CYP2C19 (0.47) | ALDH1A1TP53HPGDCYP3A4RAB9A | |
| Benzenemethanethiol SCHEMBL28366028 | 0.80 | IDO1 (0.70) | IDO1ALDH1A1NAPRTHSD17B10FOLH1 | |
| Benzenemethanethiol SCHEMBL28536486 | 0.78 | IDO1 (0.67) | IDO1ALDH1A1NAPRTHSD17B10FOLH1 | |
| SCHEMBL28067210 | 0.78 | LMNA (0.41) | IDO1ALDH1A1CA12CA1CA2 | |
| Benzenemethanethiol SCHEMBL2545391 | 0.73 | IDO1 (0.82) | IDO1ALDH1A1FOLH1TP53TSHR | |
| Benzenemethanethiol SCHEMBL28160355 | 0.73 | IDO1 (0.82) | IDO1TP53 | |
| Benzenemethanethiol SCHEMBL7370291 | 0.73 | IDO1 (0.58) | IDO1ALDH1A1FOLH1TP53 | |
| Benzenemethanethiol SCHEMBL28365921 | 0.72 | IDO1 (0.64) | IDO1ALDH1A1FOLH1TP53 | |
| Benzenemethanethiol SCHEMBL11693867 | 0.72 | IDO1 (0.70) | IDO1ALDH1A1FOLH1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104736533-B | Vegfr3 inhibitor | 癌症治疗合作研究中心有限公司 | 2016-12-07 | — | — | CN | disclosed |