Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7184334 | 0.89 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL7183224 | 0.80 | CYP2D6 (0.36) | CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2 | |
| SCHEMBL7603810 | 0.80 | CCR5 (0.39) | MAPTALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7187611 | 0.75 | CD274 (0.39) | ALDH1A1KMT2ACA1CA2 | |
| SCHEMBL7194652 | 0.74 | CCR5 (0.37) | MAPTALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7189291 | 0.73 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL7185652 | 0.73 | MAPT (0.32) | MAPTALDH1A1LMNAHPGD | |
| SCHEMBL7201250 | 0.73 | KMT2A (0.38) | CYP1A2MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL7193736 | 0.73 | PTPN1 (0.38) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL7183011 | 0.73 | PTPN1 (0.38) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 |
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-1268494-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | Merck Frosst Canada & Co. (CA) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001070753-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-09-27 | — | — | WO | disclosed |