Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | DTYMK | P23919 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP1 | P63208 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15342771 | 0.89 | ALDH1A1 (0.45) | P2RX7KMT2AMAPK1GPR119ATM | |
| SCHEMBL2392033 | 0.88 | ALDH1A1 (0.44) | P2RX7KMT2AMAPK1GPR119ATM | |
| SCHEMBL2393299 | 0.88 | ALDH1A1 (0.44) | P2RX7KMT2AMAPK1GPR119ATM | |
| SCHEMBL14349687 | 0.84 | MEN1 (0.47) | KMT2AMAPK1GPR119ATML3MBTL1 | |
| SCHEMBL16132815 | 0.81 | P2RX7 (0.45) | P2RX7KMT2AMAPK1ATMNPC1 | |
| SCHEMBL3805489 | 0.80 | CYP2D6 (0.57) | KMT2AMAPK1GPR119ATMNPC1 | |
| SCHEMBL15110168 | 0.80 | HTT (0.42) | KMT2AMAPK1GPR119ATMNPC1 | |
| SCHEMBL8115616 | 0.80 | CYP2D6 (0.57) | KMT2AMAPK1GPR119ATMNPC1 | |
| SCHEMBL6892328 | 0.80 | GPR119 (0.52) | P2RX7KMT2AMAPK1GPR119NPC1 | |
| SCHEMBL15110164 | 0.79 | MEN1 (0.51) | P2RX7KMT2AMAPK1GPR119ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5998415-A | Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors | MERCK SHARP & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |
| WO-1997016446-A1 | BICYCLIC HETEROARYL-ALKYLENE-(HOMO)PIPERAZINONES AND THIONE ANALOGUES THEREOF, THEIR PREPARATION AND THEIR USE AS SELECTIVE AGONISTS OF 5-HT1-LIKE RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-09 | — | — | WO | disclosed |