Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL8985837 | 0.87 | TSHR (0.55) | ACHETSHRMEN1HTTKMT2A | |
| Trifluoroethanol SCHEMBL7905832 | 0.82 | ALDH1A1 (0.47) | ACHETDP1MAPTCA2GAA | |
| SCHEMBL14621176 | 0.79 | TSHR (0.44) | ACHETDP1MAPTCA2GAA | |
| P-Xylene SCHEMBL14141978 | 0.74 | CA2 (0.45) | ACHETDP1MAPTCA2TSHR | |
| SCHEMBL22785858 | 0.74 | MLYCD (0.47) | ACHEMAPTCA2TSHRMLYCD | |
| P-Xylene SCHEMBL4257237 | 0.74 | ACHE (0.61) | ACHETDP1MAPTCA2GAA | |
| P-Xylene SCHEMBL28856424 | 0.74 | ACHE (0.61) | ACHETDP1MAPTCA2GAA | |
| P-Xylene SCHEMBL109385 | 0.74 | ACHE (0.61) | ACHETDP1MAPTCA2GAA | |
| P-Xylene SCHEMBL9720606 | 0.74 | ACHE (0.61) | ACHETDP1MAPTCA2GAA | |
| P-Xylene SCHEMBL28321095 | 0.74 | ACHE (0.61) | ACHETDP1MAPTCA2GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2081921-A1 | SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS | PAION UK Limited (GB) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008007071-A1 | SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS | CENES LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |