Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 3/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2222113 | 0.85 | PARP1 (0.49) | PARP1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL2365235 | 0.73 | LMNA (0.39) | PARP1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL13274570 | 0.71 | TP53 (0.36) | PARP1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL16699241 | 0.70 | CCNC (0.41) | BRD4ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7902998 | 0.69 | ALOX5 (0.59) | PARP1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL2364245 | 0.69 | CCNC (0.42) | PARP1MEN1KMT2ACCNCCDK8 | |
| SCHEMBL2365575 | 0.69 | TP53 (0.32) | PARP1NPC1RAB9AALDH1A1 | |
| SCHEMBL12517652 | 0.69 | PARP1 (0.52) | PARP1NPC1RAB9ABRD4ALDH1A1 | |
| SCHEMBL2220897 | 0.69 | KDM5A (0.33) | NPC1RAB9AALDH1A1 | |
| SCHEMBL12517920 | 0.68 | HPGD (0.44) | PARP1NPC1RAB9ACYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |