Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7393532 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL7393535 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL505131 | 0.76 | ALDH1A1 (0.56) | GPR35KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL19737628 | 0.66 | GPR35 (0.44) | GPR35KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7908030 | 0.64 | CES1 (0.37) | CYP3A4TSHRPOLB | |
| SCHEMBL19751466 | 0.63 | MMP12 (0.44) | GPR35KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL11513361 | 0.62 | MAPK1 (0.53) | GPR35KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL13681604 | 0.61 | GPR35 (0.80) | GPR35KDM4EALDH1A1CYP3A4L3MBTL1 | |
| SCHEMBL260768 | 0.61 | GPR35 (0.67) | GPR35KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL8185305 | 0.60 | CYP3A4 (0.51) | KDM4EALDH1A1CYP3A4TSHRMAPT |
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 |