Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.57 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | BAD | Q92934 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL28684421 | 0.86 | HSD11B1 (0.49) | NPC1RAB9APTPN1CES1HSD11B1 | |
| SCHEMBL133680 | 0.81 | NPC1 (0.55) | NPC1RAB9APTPN1HTR7CES2 | |
| SCHEMBL28581878 | 0.78 | GSK3B (0.59) | NPC1RAB9ACES2CES1HSD11B1 | |
| Benzene SCHEMBL28690163 | 0.77 | MAPK1 (0.58) | NPC1RAB9APTPN1CES2CES1 | |
| SCHEMBL7085528 | 0.77 | MAPK1 (0.58) | NPC1RAB9APTPN1CES2CES1 | |
| SCHEMBL2491432 | 0.77 | PLOD2 (0.69) | NPC1RAB9APTPN1HTR7CES2 | |
| SCHEMBL26584242 | 0.77 | NPC1 (0.82) | NPC1RAB9APTPN1HTR7CES2 | |
| SCHEMBL11571 | 0.75 | NPC1 (0.64) | NPC1RAB9APTPN1HTR7CES2 | |
| SCHEMBL1094528 | 0.75 | NPC1 (0.64) | NPC1RAB9APTPN1HTR7CES2 | |
| SCHEMBL1266504 | 0.75 | NPC1 (0.64) | NPC1RAB9APTPN1HTR7CES2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051413-B1 | QUINOLINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2003-06-04 | — | — | EP | claimed |
| EP-0548664-B1 | 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives | HOFFMANN LA ROCHE (CH) | 1995-05-31 | — | — | EP | claimed |
| EP-0232089-B1 | QUINONE AMIDES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1991-03-13 | — | — | EP | claimed |
| EP-0100046-B1 | CIS-4A-ARYL-1,2,3,4,4A,9B-HEXAHYDRO-BENZOFURO(3,2-C)PYRIDINES, A PROCESS FOR PREPARING THE SAME, AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-02-03 | — | — | EP | claimed |
| EP-0002283-B1 | SUBSTITUTED 1,3-DIHYDROSPIRO (BENZO(C)THIOPHENES), PROCESS FOR THEIR PREPARATION AND THESE COMPOUNDS FOR USE AS MEDICAMENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-08-24 | — | — | EP | claimed |