Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28512429 | 0.81 | TAAR1 (0.42) | TAAR1CHRM2PTGS1PTGS2CYP1A2 | |
| SCHEMBL9579122 | 0.78 | TAAR1 (0.42) | TAAR1CHRM2PTGS1PTGS2ALDH1A1 | |
| SCHEMBL11431192 | 0.77 | ACHE (0.39) | TAAR1CYP3A4ALDH1A1TDP1TSHR | |
| SCHEMBL3638610 | 0.77 | TAAR1 (0.52) | TAAR1CHRM2PTGS1PTGS2CYP1A2 | |
| SCHEMBL29987056 | 0.77 | TAAR1 (0.52) | TAAR1CHRM2PTGS1PTGS2CYP1A2 | |
| SCHEMBL4989436 | 0.76 | CHRM3 (0.42) | TAAR1CHRM2PTGS1PTGS2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL12802356 | 0.75 | TAAR1 (0.50) | TAAR1CHRM2PTGS1PTGS2CYP1A2 | |
| SCHEMBL4601477 | 0.74 | TAAR1 (0.41) | TAAR1CYP3A4ALDH1A1TDP1TSHR | |
| SCHEMBL28516418 | 0.73 | TAAR1 (0.36) | TAAR1ALDH1A1KDM4EGAAATM | |
| SCHEMBL6049869 | 0.73 | TSHR (0.50) | TAAR1CYP1A2CYP3A4ALDH1A1ATM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0427929-A2 | Heat-sensitive recording material | MITSUBISHI PAPER MILLS, LTD. (JP) | 1991-05-22 | — | — | EP | disclosed |