Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27384 | 0.89 | — | — | |
| SCHEMBL27474209 | 0.86 | — | — | |
| SCHEMBL27534098 | 0.86 | — | — | |
| SCHEMBL23360800 | 0.86 | — | — | |
| SCHEMBL27940910 | 0.84 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL27661568 | 0.79 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| Zinc Chloride SCHEMBL28846764 | 0.70 | TSHR (0.47) | TSHRALDH1A1CYP1A2CYP2A6LMNA | |
| SCHEMBL3037020 | 0.68 | — | — | |
| Zinc Chloride SCHEMBL23860533 | 0.68 | ACHE (0.36) | ACHEALDH1A1TAAR1 | |
| SCHEMBL2489512 | 0.68 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101981006-B | Cyclic indole-3-carboxamides, their preparation and their use as pharmaceuticals | SANOFI AVENTIS | 2013-08-28 | — | — | CN | disclosed |
| CN-101970437-B | Cyclic azaindole-3-carboxamides, their preparation and their use as pharmaceuticals | SANOFI AVENTIS | 2013-04-03 | — | — | CN | disclosed |
| CN-102639495-A | Pyrrolidine GPR40 Modulators | BRISTOL MYERS SQUIBB CO | 2012-08-15 | — | — | CN | disclosed |
| CN-101981006-A | Cyclic indole-3-carboxamides, their preparation and their use as pharmaceuticals | SANOFI AVENTIS | 2011-02-23 | — | — | CN | disclosed |
| CN-101970437-A | Cyclic azaindole-3-carboxamides, their preparation and their use as pharmaceuticals | SANOFI AVENTIS | 2011-02-09 | — | — | CN | disclosed |
| CN-101312957-A | 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (ptpase) | NOVARTIS AG (CH) | 2008-11-26 | — | — | CN | disclosed |