Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8710672 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP2A6RAB9ARELAMAOA | |
| SCHEMBL8668861 | 0.85 | RAB9A (0.51) | CYP1A2CYP2A6RAB9ARELAHTR2A | |
| SCHEMBL7764479 | 0.83 | RAB9A (0.46) | CYP1A2CYP2A6RAB9ARELAMAOA | |
| SCHEMBL7210308 | 0.80 | CYP2A6 (0.52) | CYP1A2CYP2A6RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL8364378 | 0.79 | TRPA1 (0.45) | RAB9AMAOAMAOBNFE2L2 | |
| SCHEMBL654153 | 0.77 | NFE2L2 (0.52) | MAOBNFE2L2KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL8210813 | 0.77 | NFE2L2 (0.52) | CYP2A6MAOAMAOBNFE2L2KDM4E | |
| SCHEMBL5941183 | 0.77 | NFE2L2 (0.50) | CYP1A2RAB9AMAOAMAOBNFE2L2 | |
| SCHEMBL9423244 | 0.76 | MAOA (0.51) | CYP1A2RAB9AMAOAMAOBKDM4E | |
| SCHEMBL28746131 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP2A6HTR2AHTR2CHTR2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | disclosed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |