Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7902293 | 0.68 | CD44 (0.35) | CD44MEN1CYP3A4KMT2A | |
| SCHEMBL7423515 | 0.66 | CD44 (0.47) | CD44HTR2CMEN1CYP3A4KMT2A | |
| SCHEMBL7480366 | 0.65 | CD44 (0.55) | CD44HTR2CMEN1KMT2A | |
| SCHEMBL7039116 | 0.65 | TSHR (0.44) | CD44MEN1CYP3A4KMT2A | |
| Hydrochloric Acid SCHEMBL7423542 | 0.65 | CD44 (0.46) | CD44MEN1CYP3A4KMT2A | |
| SCHEMBL7391096 | 0.64 | CD44 (0.34) | CD44HTR2CHTR2AMEN1KMT2A | |
| SCHEMBL7391102 | 0.64 | CD44 (0.34) | CD44HTR2CHTR2AMEN1KMT2A | |
| SCHEMBL9394752 | 0.62 | CD44 (0.36) | CD44MEN1CYP3A4KMT2A | |
| SCHEMBL4387029 | 0.62 | ALOX5 (0.31) | — | |
| SCHEMBL1385228 | 0.62 | ALOX5 (0.31) | — |
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 |