Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | DUSP1 | P28562 | 1/20 | 0.37 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13192021 | 0.89 | ALDH1A1 (0.38) | ALDH1A1LMNASMN1; SMN2NPC1MAPT | |
| SCHEMBL6987060 | 0.86 | APP (0.40) | ALDH1A1LMNASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL6989242 | 0.86 | CYP1A2 (0.46) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL7212650 | 0.86 | CYP1A2 (0.46) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL18287264 | 0.79 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2MAPTACHE | |
| SCHEMBL6984471 | 0.77 | MAOB (0.41) | ALDH1A1CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL6993433 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MAPTPKMNPSR1CYP19A1 | |
| SCHEMBL6987214 | 0.76 | ALDH1A1 (0.35) | ALDH1A1LMNASMN1; SMN2NPC1MAPT | |
| SCHEMBL18994283 | 0.74 | MAPT (0.51) | ALDH1A1LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL6987063 | 0.74 | HSP90AA1 (0.41) | ALDH1A1NPC1CYP1A2CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010108058-A2 | SMALL MOLECULE INHIBITORS OF DUSP6 AND USES THEREFOR | UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2010-09-23 | — | — | WO | disclosed |