Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4630040 | 0.88 | CYP1A2 (0.50) | ALDH1A1CYP1A2CYP2D6NPSR1GAA | |
| Benzene SCHEMBL27392883 | 0.88 | CYP1A2 (0.50) | ALDH1A1CYP1A2CYP2D6NPSR1GAA | |
| SCHEMBL7749112 | 0.87 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2GAA | |
| Water SCHEMBL7749371 | 0.86 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL8369953 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2CYP1A2 | |
| SCHEMBL7744594 | 0.80 | CYP1A2 (0.43) | ALDH1A1CYP2C19SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL4631302 | 0.77 | ALDH1A1 (0.60) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2TSHR | |
| SCHEMBL373284 | 0.77 | SMN1; SMN2 (0.74) | ALDH1A1CYP2C19SMN1; SMN2NPSR1TSHR | |
| Hydrochloric Acid SCHEMBL8365023 | 0.77 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2CYP1A2 | |
| SCHEMBL6972395 | 0.77 | OPRM1 (0.50) | ALDH1A1CYP1A2CYP2D6HPGDPOLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1923391-A1 | Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. | sanofi-aventis (FR) | 2008-05-21 | — | — | EP | disclosed |
| EP-1688416-A1 | Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them | Sanofi-Aventis (FR) | 2006-08-09 | — | — | EP | disclosed |
| EP-1156049-B1 | Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them | SANOFI AVENTIS (FR) | 2005-06-01 | — | — | EP | disclosed |
| EP-1340754-A1 | Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them | SANOFI-SYNTHELABO (FR) | 2003-09-03 | — | — | EP | disclosed |
| EP-0807111-B1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI SYNTHELABO (FR) | 2002-08-14 | — | — | EP | disclosed |
| EP-1156049-A1 | Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them | SANOFI-SYNTHELABO (FR) | 2001-11-21 | — | — | EP | disclosed |
| EP-0807111-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1997-11-19 | — | — | EP | disclosed |
| WO-1996023787-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1996-08-08 | — | — | WO | disclosed |