Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 15/20 | 0.32 |
| ▸ | DRD2 | P14416 | 5/20 | 0.32 |
| ▸ | DRD3 | P35462 | 5/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7903407 | 0.87 | HTR1A (0.31) | HTR1ADRD2 | |
| SCHEMBL9676250 | 0.81 | HTR1A (0.47) | HTR1ADRD2DRD3 | |
| SCHEMBL9523425 | 0.78 | HTR1A (0.33) | HTR1ADRD2DRD3 | |
| SCHEMBL7896251 | 0.77 | HTR1A (0.34) | HTR1ADRD2DRD3 | |
| SCHEMBL7905347 | 0.75 | HTR1A (0.32) | HTR1ADRD2 | |
| Tivirapine SCHEMBL3145162 | 0.74 | HTR1A (0.31) | HTR1ADRD2 | |
| SCHEMBL8844411 | 0.74 | PARP1 (0.33) | PARP1PARP2HTR1ADRD2 | |
| Tivirapine SCHEMBL377308 | 0.74 | HTR1A (0.31) | HTR1ADRD2 | |
| Tivirapine SCHEMBL8844208 | 0.74 | HTR1A (0.31) | HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL9695826 | 0.70 | HTR1A (0.32) | HTR1ADRD2DRD3 |
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-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 |