Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7861196 | 0.79 | TSHR (0.59) | RAB9ATSHRSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL8965434 | 0.79 | TACR1 (1.00) | TACR1TSHR | |
| SCHEMBL1767329 | 0.78 | TSHR (0.65) | RAB9ATSHRF2CYP1A2CYP2D6 | |
| SCHEMBL8966079 | 0.78 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8965502 | 0.78 | TACR1 (0.79) | TACR1 | |
| SCHEMBL6636271 | 0.76 | TSHR (0.51) | TSHRCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28381738 | 0.75 | TSHR (0.57) | RAB9ATSHRF2CYP1A2CYP2D6 | |
| SCHEMBL8911985 | 0.75 | RAB9A (0.47) | TACR1RAB9AHTTSMN1; SMN2L3MBTL1 | |
| SCHEMBL8965741 | 0.74 | TACR1 (0.67) | TACR1 | |
| SCHEMBL8673409 | 0.74 | TSHR (0.49) | RAB9ATSHRF2CYP2D6CYP2C9 |
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-0593557-B1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | claimed |
| WO-1993001160-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | claimed |
| EP-0522808-A2 | Aromatic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1993-01-13 | — | — | EP | claimed |