Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 8/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.32 |
| ▸ | CDK9 | P50750 | 4/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16967466 | 0.91 | GRM5 (0.43) | KITCCNT1CDK9GRM5GRM1 | |
| SCHEMBL16967521 | 0.78 | SOS1 (0.39) | KITGRM5GRM1 | |
| SCHEMBL14723516 | 0.75 | DGAT1 (0.34) | NPC1HPGDP2RX7 | |
| SCHEMBL14723517 | 0.75 | TP53 (0.39) | POLBHPGDSMN1; SMN2 | |
| SCHEMBL16967499 | 0.73 | DGAT1 (0.36) | NPC1MAPTP2RX7 | |
| SCHEMBL16977979 | 0.73 | DGAT1 (0.36) | NPC1MAPTP2RX7 | |
| SCHEMBL30469343 | 0.69 | AAK1 (0.34) | P2RX7 | |
| SCHEMBL16967467 | 0.67 | MAPT (0.35) | ALDH1A1MAPTHPGD | |
| SCHEMBL31447404 | 0.66 | AAK1 (0.33) | — | |
| SCHEMBL14722370 | 0.65 | AR (0.35) | — |
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-2748164-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS | Merck Patent GmbH (DE) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013026516-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2013-02-28 | — | — | WO | disclosed |