Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 2/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PER2 | O15055 | 2/20 | 0.31 |
| ▸ | CRY1 | Q16526 | 2/20 | 0.31 |
| ▸ | CRY2 | Q49AN0 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9722935 | 0.82 | ALDH1A1 (0.39) | ACKR3PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9817615 | 0.80 | KMT2A (0.40) | KDM4EALDH1A1GAAKMT2A | |
| SCHEMBL9722942 | 0.80 | ACKR3 (0.34) | ACKR3CES2CES1NPC1ALDH1A1 | |
| SCHEMBL9796462 | 0.78 | CES2 (0.39) | ACKR3CES2CES1NPC1ALDH1A1 | |
| SCHEMBL9722934 | 0.77 | ACKR3 (0.33) | ACKR3CES2CES1 | |
| SCHEMBL9722941 | 0.73 | CES2 (0.35) | ACKR3PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9796501 | 0.73 | ATM (0.47) | ATMNPC1ALDH1A1GAARAB9A | |
| SCHEMBL9722953 | 0.72 | MEN1 (0.39) | KDM4EALDH1A1GAAKMT2A | |
| SCHEMBL9722960 | 0.71 | MRGPRX1 (0.37) | ACKR3CES2CES1ATMKMT2A | |
| SCHEMBL9796401 | 0.70 | ALDH1A1 (0.39) | ACKR3CES2CES1ALDH1A1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5079264-A | CHEMICAL PROCESS | THE BOOTS CO. PLC (GB) | 1992-01-07 | — | — | US | disclosed |
| US-5011931-A | For treatment of cardiovascular disorders; hypotensive agents | THE BOOTS COMPANY PLC (GB) | 1991-04-30 | — | — | US | disclosed |
| WO-1989004827-A1 | PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS | THE BOOTS COMPANY PLC (GB) | 1989-06-01 | — | — | WO | disclosed |