Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | AKT1 | P31749 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CRHBP | P24387 | 2/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.49 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CKS1B | P61024 | 1/20 | 0.45 |
| ▸ | SKP1 | P63208 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12126266 | 0.94 | ALDH1A1 (0.71) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12126169 | 0.91 | ALDH1A1 (0.60) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12124637 | 0.83 | GRM5 (0.62) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3281579 | 0.82 | ALDH1A1 (0.66) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3281568 | 0.82 | ALDH1A1 (0.66) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14334518 | 0.79 | ALDH1A1 (0.68) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6210805 | 0.79 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13218257 | 0.79 | MAPT (0.65) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27884884 | 0.78 | NAMPT (0.53) | ALDH1A1MAPTAKT1CYP2C9CYP2C19 | |
| SCHEMBL27665090 | 0.76 | ALDH1A1 (0.53) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7767699-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA, L.P. (US) | 2010-08-03 | — | — | US | disclosed |
| EP-1641775-B1 | 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN | EURO CELTIQUE SA (LU) | 2009-02-18 | — | — | EP | disclosed |
| WO-2005007641-A1 | 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN | EURO-CELTIQUE S.A. (LU) | 2005-01-27 | — | — | WO | disclosed |