Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.51 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.51 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.51 |
| ▸ | TACR1 | P25103 | 4/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | LAP3 | P28838 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6473973 | 1.00 | SLC1A3 (0.51) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 | |
| Hydrochloric Acid SCHEMBL6473967 | 0.99 | SLC1A3 (0.50) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 | |
| SCHEMBL903514 | 0.89 | SLC1A3 (0.54) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 | |
| Hydrochloric Acid SCHEMBL27923214 | 0.88 | SLC1A3 (0.53) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 | |
| SCHEMBL7368179 | 0.86 | TACR1 (0.47) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 | |
| SCHEMBL24115492 | 0.84 | CTNNB1 (0.51) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 | |
| SCHEMBL8465002 | 0.83 | KMT2A (0.50) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 | |
| SCHEMBL3936305 | 0.83 | KMT2A (0.50) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 | |
| SCHEMBL7262986 | 0.83 | KMT2A (0.50) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 | |
| Hydrochloric Acid SCHEMBL7257593 | 0.82 | KMT2A (0.49) | SLC1A3SLC1A2SLC1A1TACR1CTNNB1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | claimed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | claimed |
| US-6329394-B1 | 5HT3 ANTAGONIST AND NK1 RECEPTORS SUBSTANCE P ANTAGONISTS AND OTHER NEUROKININ ANTAGONISTS, IN THE TREATMENT OF EMESIS. | GLAXO GROUP LIMITED (GB) | 2001-12-11 | — | — | US | disclosed |
| US-5547964-A | ANTIEMETIC DURING DRUG THERAPY | GLAXO GROUP LIMITED (GB) | 1996-08-20 | — | — | US | disclosed |
| US-5472978-A | Tachykinin antagonists for treating pain, migraine and antiinflammatory agents | MERCK SHARP & DOHME LTD. (GB) | 1995-12-05 | — | — | US | disclosed |
| EP-0615751-A1 | Use of tachykinin antagonists in the treatment of emesis | GLAXO GROUP LIMITED (GB) | 1994-09-21 | — | — | EP | disclosed |
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |