Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8844514 | 1.00 | TDP1 (0.31) | TDP1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8844993 | 0.91 | MEN1 (0.35) | TDP1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8845025 | 0.89 | MEN1 (0.31) | MEN1KMT2A | |
| SCHEMBL7902272 | 0.86 | KDM4E (0.32) | TDP1 | |
| SCHEMBL7475017 | 0.85 | HTR2A (0.30) | — | |
| SCHEMBL7477848 | 0.85 | MEN1 (0.30) | MEN1KMT2A | |
| SCHEMBL8844676 | 0.82 | MEN1 (0.31) | MEN1KMT2A | |
| SCHEMBL8845019 | 0.82 | MEN1 (0.31) | MEN1KMT2A | |
| SCHEMBL8844328 | 0.82 | MEN1 (0.30) | MEN1KMT2A | |
| SCHEMBL8844188 | 0.82 | HTR2A (0.31) | TDP1 |
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-0605499-B1 | PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO 4,5,1-jk] 1,4]-BENZODIAZEPIN-2(1H -)-THIONES | JANSSEN PHARMACEUTICA NV (BE) | 1997-11-12 | — | — | EP | disclosed |
| US-5599982-A | Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-02-04 | — | — | US | disclosed |
| US-5543570-A | Intermediates for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2-(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-08-06 | — | — | US | disclosed |
| US-5463049-A | Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-10-31 | — | — | US | disclosed |
| EP-0534539-A1 | Process for preparing enantiomerically pure imidazo[4,5,1-jk]-[1,4]-benzodiazepin-2(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |