Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | DUT | P33316 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL7904916 | 1.00 | TACR1 (0.35) | TACR1DUTAKR1B1OPRM1OPRK1 | |
| SCHEMBL7897689 | 1.00 | TACR1 (0.35) | TACR1DUTAKR1B1OPRM1OPRK1 | |
| SCHEMBL7897534 | 0.96 | AKR1B1 (0.34) | TACR1DUTAKR1B1OPRM1KMT2A | |
| SCHEMBL7910404 | 0.96 | AKR1B1 (0.34) | TACR1DUTAKR1B1OPRM1KMT2A | |
| SCHEMBL7910208 | 0.96 | AKR1B1 (0.34) | TACR1DUTAKR1B1OPRM1KMT2A | |
| SCHEMBL7897716 | 0.89 | CYP46A1 (0.37) | DUTAKR1B1OPRK1KMT2AMAPT | |
| SCHEMBL7897714 | 0.89 | CYP46A1 (0.37) | DUTAKR1B1OPRK1KMT2AMAPT | |
| SCHEMBL7904884 | 0.89 | CYP46A1 (0.37) | DUTAKR1B1OPRK1KMT2AMAPT | |
| SCHEMBL7811052 | 0.85 | CYP46A1 (0.38) | AKR1B1OPRK1KMT2AMAPTPIK3CD | |
| SCHEMBL7807449 | 0.85 | CYP46A1 (0.38) | AKR1B1OPRK1KMT2AMAPTPIK3CD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6204262-B1 | 1,3-Benzodiazepin-2-ones and 1,3-Benzoxazepin-2-ones useful as HIV reverse transcriptase inhibitors | DUPONT PHARMACEUTICALS COMPANY | 2001-03-20 | — | — | US | claimed |
| US-6204262-B1 | 1,3-Benzodiazepin-2-ones and 1,3-Benzoxazepin-2-ones useful as HIV reverse transcriptase inhibitors | DUPONT PHARMACEUTICALS COMPANY | 2001-03-20 | — | — | US | disclosed |