Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2926458 | 0.74 | POLB (0.55) | MEN1KMT2ANPC1RAB9AHPGD | |
| SCHEMBL20897035 | 0.73 | RAB9A (0.54) | MEN1KMT2ANPC1RAB9AHPGD | |
| SCHEMBL15577272 | 0.72 | HPGD (0.46) | MEN1KMT2APIK3CATP53NPC1 | |
| SCHEMBL15577197 | 0.71 | ALDH1A1 (0.44) | MEN1KMT2AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL10762514 | 0.71 | RAB9A (0.52) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL27848231 | 0.70 | DHPS (0.38) | NPC1RAB9AHPGDALDH1A1MAPT | |
| SCHEMBL1244927 | 0.69 | GPR35 (0.47) | MEN1KMT2AHPGDALDH1A1MAPT | |
| SCHEMBL18924529 | 0.68 | POLB (0.46) | MEN1KMT2ANPC1RAB9AHPGD | |
| SCHEMBL3260658 | 0.68 | KDR (0.44) | — | |
| SCHEMBL9001766 | 0.67 | ALDH1A1 (0.66) | MEN1KMT2ANPC1RAB9AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014041518-A1 | THIENOPYRROLE DERIVATIVES AS ITK INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2014-03-20 | — | — | WO | disclosed |