Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | SYK | P43405 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2087346 | 0.96 | CYP2D6 (0.71) | CYP2D6TSHRSYKALDH1A1SMN1; SMN2 | |
| SCHEMBL12435658 | 0.92 | SYK (0.77) | CYP2D6TSHRSYKSMN1; SMN2MEN1 | |
| SCHEMBL4036604 | 0.88 | CYP2D6 (0.60) | CYP2D6TSHRSYKALDH1A1SMN1; SMN2 | |
| SCHEMBL12845566 | 0.85 | TSHR (0.64) | CYP2D6TSHRSYKALDH1A1SMN1; SMN2 | |
| SCHEMBL12781742 | 0.84 | CYP2D6 (0.62) | CYP2D6TSHRSYKALDH1A1SMN1; SMN2 | |
| SCHEMBL4036285 | 0.84 | KDM4E (0.60) | CYP2D6TSHRSYKALDH1A1SMN1; SMN2 | |
| SCHEMBL2088116 | 0.84 | SYK (0.65) | CYP2D6TSHRSYKALDH1A1KDM4E | |
| SCHEMBL12845312 | 0.81 | CYP2D6 (0.69) | CYP2D6TSHRSYKALDH1A1SMN1; SMN2 | |
| SCHEMBL1667163 | 0.80 | AXL (0.61) | CYP2D6TSHRSYKALDH1A1SMN1; SMN2 | |
| SCHEMBL12448367 | 0.80 | AXL (0.61) | CYP2D6TSHRSYKALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |
| EP-1562589-A2 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004046120-A2 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-06-03 | — | — | WO | disclosed |