Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | HPGD | P15428 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 7/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.54 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038925 | 0.95 | MAPT (0.65) | MAPTSMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL2086989 | 0.93 | MAPT (0.61) | MAPTSMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL30907664 | 0.90 | MAPT (0.65) | MAPTSMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL5099839 | 0.90 | MAPT (0.65) | MAPTSMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL29897293 | 0.87 | MAPT (0.61) | MAPTSMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL985801 | 0.87 | MAPT (0.61) | MAPTSMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL1929875 | 0.85 | MAPT (0.60) | MAPTSMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL4199965 | 0.84 | HTT (0.59) | MAPTSMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL224123 | 0.84 | TDP1 (0.60) | MAPTSMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL1929569 | 0.84 | MAPT (0.58) | MAPTSMN1; SMN2HPGDRAB9ANPC1 |
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-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |