Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12544858 | 0.82 | CNR2 (0.35) | AGXTIDO1CNR2ALDH1A1TSHR | |
| SCHEMBL13816709 | 0.80 | CYP3A4 (0.38) | IDO1ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL7209313 | 0.79 | ALDH1A1 (0.61) | AGXTIDO1TAAR1ALDH1A1TP53 | |
| SCHEMBL11262502 | 0.79 | MAOB (0.58) | AGXTIDO1ALDH1A1TP53TSHR | |
| SCHEMBL11400752 | 0.78 | MAOB (0.52) | AGXTIDO1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL21969570 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL30753808 | 0.75 | AGXT (0.40) | AGXTIDO1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL2300480 | 0.75 | AGXT (0.40) | AGXTIDO1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL1455258 | 0.74 | AGXT (0.43) | AGXTIDO1CNR2CYP1A2CYP2A6 | |
| SCHEMBL10696598 | 0.74 | IDO1 (0.42) | AGXTIDO1CNR2CYP1A2CYP2A6 |
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-1339671-A2 | 1,7 AND 1,9-DIARYLPOLYMETHINE SALTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002046139-A2 | 1,7 AND 1,9-DIARYLPOLYMETHINE SALTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2002-06-13 | — | — | WO | disclosed |