Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 6/20 | 0.35 |
| ▸ | CASP1 | P29466 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 9/20 | 0.33 |
| ▸ | RAB9A | P51151 | 9/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6024290 | 0.75 | CCR2 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL13180805 | 0.75 | PIK3CD (0.35) | ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A | |
| SCHEMBL3742183 | 0.75 | CCR2 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL1721474 | 0.71 | AKR1C3 (0.44) | ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A | |
| SCHEMBL3094127 | 0.65 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A | |
| SCHEMBL3753394 | 0.62 | CCR2 (0.41) | HDAC3HDAC1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL3753398 | 0.62 | CCR2 (0.41) | HDAC3HDAC1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL3753400 | 0.62 | CCR2 (0.41) | HDAC3HDAC1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL3094130 | 0.61 | MAPT (0.36) | ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A | |
| SCHEMBL13736220 | 0.61 | RAB9A (0.35) | ALDH1A1KDM4ESMN1; SMN2KMT2AHPGD |
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-1919908-B1 | TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LTD (GB) | 2010-11-10 | — | — | EP | disclosed |