Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5195631 | 0.85 | TSHR (0.48) | TSHRGAAHTTALDH1A1MEN1 | |
| SCHEMBL5193168 | 0.78 | RAB9A (0.47) | TSHRGAAHTTALDH1A1KMT2A | |
| SCHEMBL5207369 | 0.76 | GAA (0.42) | TSHRGAAHTTALDH1A1KMT2A | |
| SCHEMBL22738143 | 0.73 | KDM4E (0.64) | EPHX2ALDH1A1MEN1KMT2A | |
| SCHEMBL5190550 | 0.73 | ALDH1A1 (0.53) | EPHX2ALDH1A1MEN1KMT2A | |
| SCHEMBL5190665 | 0.72 | KMT2A (0.51) | GAAALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL5190130 | 0.72 | TSHR (0.45) | EPHX2TSHRGAAHTTALDH1A1 | |
| SCHEMBL5193934 | 0.71 | ALDH1A1 (0.53) | HTTALDH1A1HPGDALOX15MEN1 | |
| SCHEMBL5278574 | 0.71 | LMNA (0.48) | EPHX2GAA | |
| SCHEMBL17778311 | 0.71 | EPHX2 (1.00) | EPHX2ALDH1A1CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | disclosed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | disclosed |