Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL9003449 | 0.88 | TSHR (0.62) | TSHRLMNAALDH1A1HPGDCYP2A6 | |
| 1,2-Dichlorobenzene SCHEMBL28051530 | 0.87 | ALDH1A1 (0.52) | TSHRLMNAALDH1A1HPGDHTT | |
| 1,2-Dichlorobenzene SCHEMBL27583458 | 0.85 | TSHR (0.67) | TSHRLMNAALDH1A1HPGDCYP2A6 | |
| 1,2-Dichlorobenzene SCHEMBL29182241 | 0.85 | TSHR (0.67) | TSHRLMNAALDH1A1CYP2A6CES2 | |
| 1,2-Dichlorobenzene SCHEMBL7821653 | 0.84 | LMNA (0.56) | TSHRLMNAALDH1A1HPGDHTT | |
| 1,2-Dichlorobenzene SCHEMBL28151921 | 0.82 | TSHR (0.71) | TSHRLMNAALDH1A1CYP2A6PNMT | |
| Chlorobenzene SCHEMBL27498314 | 0.81 | TSHR (0.58) | TSHRLMNAALDH1A1HTTCES2 | |
| 1,2-Dichlorobenzene SCHEMBL27492790 | 0.79 | TSHR (0.67) | TSHRLMNAALDH1A1CYP2A6CES2 | |
| 1,2-Dichlorobenzene SCHEMBL27497131 | 0.78 | TSHR (0.77) | TSHRLMNAALDH1A1CYP2A6CES2 | |
| Nonane SCHEMBL10388422 | 0.78 | TSHR (0.56) | TSHRLMNAALDH1A1HPGDHTT |
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 |