Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A1 | P43005 | 6/20 | 0.51 |
| ▸ | SLC1A3 | P43003 | 5/20 | 0.51 |
| ▸ | SLC1A2 | P43004 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TACR1 | P25103 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912668 | 0.87 | GLA (0.43) | SLC1A1SLC1A3SLC1A2KMT2AMEN1 | |
| SCHEMBL8912527 | 0.87 | TACR1 (0.52) | SLC1A1SLC1A3SLC1A2KMT2AMEN1 | |
| SCHEMBL8916814 | 0.84 | FFAR1 (0.44) | SLC1A1SLC1A3SLC1A2KMT2AMEN1 | |
| SCHEMBL8911831 | 0.84 | TACR1 (0.55) | TACR1 | |
| SCHEMBL8911985 | 0.83 | RAB9A (0.47) | KMT2AMEN1TACR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8910978 | 0.82 | TACR1 (0.57) | TACR1 | |
| SCHEMBL8911190 | 0.79 | TACR1 (0.55) | KMT2AMEN1TACR1PPARGPPARA | |
| SCHEMBL16430299 | 0.74 | SLC1A3 (0.65) | SLC1A1SLC1A3SLC1A2KMT2AMEN1 | |
| SCHEMBL9725774 | 0.73 | SLC1A1 (0.68) | SLC1A1SLC1A3SLC1A2KMT2AMEN1 | |
| SCHEMBL18925992 | 0.73 | SLC1A1 (0.68) | SLC1A1SLC1A3SLC1A2KMT2AMEN1 |
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-5629347-A | TACHYKININ ANTAGONIST USED IN TREATMENT OF INFLAMMATION, MIGRAINE, POSTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 1997-05-13 | — | — | US | disclosed |
| WO-1993001160-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |
| EP-0522808-A2 | Aromatic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1993-01-13 | — | — | EP | disclosed |