Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 6/20 | 0.43 |
| ▸ | TNKS | O95271 | 4/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.40 |
| ▸ | TACR3 | P29371 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | ERG | P11308 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | APLNR | P35414 | 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 | |
|---|---|---|---|---|
| SCHEMBL1347704 | 0.85 | TNKS2 (0.38) | TNKS2TNKSAVPR1ATACR3KCNH2 | |
| SCHEMBL1347781 | 0.85 | AVPR1A (0.44) | TNKS2TNKSAVPR1ATACR3KCNH2 | |
| SCHEMBL3395958 | 0.83 | HSD11B1 (0.36) | TNKS2TNKSAVPR1ATACR3KCNH2 | |
| SCHEMBL1347857 | 0.83 | TUBB4A (0.37) | TNKS2TNKSAVPR1AAPLNR | |
| SCHEMBL3398444 | 0.76 | SMN1; SMN2 (0.48) | TNKS2TNKSAVPR1ATACR3CCR1 | |
| SCHEMBL3399961 | 0.76 | TNKS2 (0.39) | TNKS2TNKSAVPR1ATACR3KCNH2 | |
| SCHEMBL3226167 | 0.71 | TNKS2 (0.37) | TNKS2TNKSTACR3KCNH2ERG | |
| SCHEMBL1347208 | 0.70 | TNKS2 (0.36) | TNKS2TNKSTACR3P2RX7 | |
| SCHEMBL12654553 | 0.70 | TNKS2 (0.39) | TNKS2TNKSTACR3KCNH2ERG | |
| SCHEMBL24193982 | 0.70 | RIPK1 (0.45) | AVPR1ATSHR |
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-2111403-B1 | TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH (DE) | 2010-11-10 | — | — | EP | claimed |
| EP-2111403-B1 | TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH (DE) | 2010-11-10 | — | — | EP | disclosed |