Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22516676 | 0.83 | TDP1 (0.52) | HSD17B10ALDH1A1TDP1CYP1A2PAX8 | |
| SCHEMBL29956703 | 0.83 | TDP1 (0.52) | HSD17B10ALDH1A1TDP1CYP1A2PAX8 | |
| SCHEMBL24434448 | 0.76 | GABRA1 (0.38) | HSD17B10ALDH1A1TDP1CYP1A2PAX8 | |
| SCHEMBL14480092 | 0.74 | LMNA (0.35) | HSD17B10ALDH1A1TDP1CYP1A2CYP3A4 | |
| SCHEMBL24435016 | 0.74 | SLC6A2 (0.37) | PAX8GABRA1GABRB2CYP3A4ATM | |
| SCHEMBL5685530 | 0.73 | HSD17B10 (0.67) | HSD17B10ALDH1A1TDP1CYP1A2GABRA1 | |
| SCHEMBL11471038 | 0.73 | HSD17B10 (0.67) | HSD17B10ALDH1A1TDP1CYP1A2GABRA1 | |
| SCHEMBL2757691 | 0.73 | HSD17B10 (0.67) | HSD17B10ALDH1A1TDP1CYP1A2GABRA1 | |
| SCHEMBL20153700 | 0.72 | KDM4E (0.47) | ALDH1A1TDP1CYP3A4NPC1RAB9A | |
| SCHEMBL618552 | 0.71 | CHRNB2 (0.49) | ALDH1A1PAX8GABRA1GABRB2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018089357-A1 | INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |