Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 11/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27879625 | 0.80 | F2 (0.46) | ADAM17ADAM10MMP2MMP3MMP13 | |
| SCHEMBL27879621 | 0.80 | F2 (0.46) | ADAM17ADAM10MMP2MMP3MMP13 | |
| SCHEMBL27896515 | 0.79 | HSD17B10 (0.50) | POLBNPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL27879663 | 0.78 | ADAM17 (0.40) | ADAM17ALDH1A1HTTKCNK3 | |
| SCHEMBL13570422 | 0.77 | CES2 (0.41) | CES2CES1KEAP1CHRM2CHRM1 | |
| SCHEMBL27896558 | 0.76 | CYP3A4 (0.41) | ADAM17POLBKCNK3 | |
| SCHEMBL27896412 | 0.75 | ADAM17 (0.39) | ADAM17KCNK3 | |
| SCHEMBL27896416 | 0.75 | MEN1 (0.46) | ADAM17POLBMAPTALDH1A1HTT | |
| SCHEMBL28054730 | 0.74 | ADAM17 (0.41) | ADAM17ALDH1A1SMN1; SMN2 | |
| SCHEMBL28797927 | 0.71 | KMT2A (0.45) | CHRM3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102791693-B | Hepatitis c virus inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2016-04-13 | — | — | CN | claimed |
| CN-102791693-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2012-11-21 | — | — | CN | claimed |