Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7902260 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9436772 | 0.78 | CHRNB2 (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9535908 | 0.78 | CHRNB2 (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL7902272 | 0.70 | KDM4E (0.32) | KDM4EALDH1A1POLBTDP1 | |
| SCHEMBL8844480 | 0.70 | — | — | |
| SCHEMBL27657163 | 0.70 | SMN1; SMN2 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9388439 | 0.68 | ACHE (0.36) | CYP1A2CYP2C9CYP2C19NR4A1KMT2A | |
| SCHEMBL7904443 | 0.68 | — | — | |
| SCHEMBL7904440 | 0.68 | — | — | |
| SCHEMBL7903560 | 0.67 | TDP1 (0.39) | MAPTNR4A1SMN1; SMN2KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6201119-B1 | 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-03-13 | — | — | US | disclosed |
| US-5371079-A | Administering to inhibit replication of HIV-1 in human cells | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-12-06 | — | — | US | disclosed |
| US-5270464-A | Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-12-14 | — | — | US | disclosed |
| EP-0491751-A1 | ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-07-01 | — | — | EP | disclosed |
| WO-1991004255-A1 | ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-04-04 | — | — | WO | disclosed |