Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL7391096 | 0.75 | CD44 (0.34) | CD44KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL7391102 | 0.75 | CD44 (0.34) | CD44KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL7903541 | 0.73 | TDP1 (0.40) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL7039116 | 0.73 | TSHR (0.44) | CD44MEN1ALDH1A1KMT2ACYP3A4 | |
| SCHEMBL7348092 | 0.72 | CD44 (0.33) | CD44 | |
| SCHEMBL9394752 | 0.70 | CD44 (0.36) | CD44KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL7905554 | 0.68 | CD44 (0.38) | CD44MEN1KMT2ACYP3A4 | |
| SCHEMBL7348841 | 0.67 | DRD2 (0.47) | — | |
| SCHEMBL29216395 | 0.65 | HTR6 (0.33) | CD44KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL7797306 | 0.64 | MEN1 (0.36) | CD44KDM4EMEN1ALDH1A1LMNA |
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 |