Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | PTPRB | P23467 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | F2R | P25116 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3004859 | 0.82 | MEN1 (0.47) | KMT2AMEN1NPC1HTTRAB9A | |
| SCHEMBL2929698 | 0.80 | KMT2A (0.38) | KMT2AMEN1HTTALDH1A1RECQL | |
| SCHEMBL24045987 | 0.78 | PIN1 (0.47) | KMT2AMEN1ALDH1A1RECQLMMP8 | |
| SCHEMBL4542373 | 0.77 | PTPRB (0.39) | KMT2AMEN1NPC1HTTRAB9A | |
| SCHEMBL2923484 | 0.76 | PIN1 (0.41) | KMT2AMEN1NPC1HTTRAB9A | |
| SCHEMBL2490507 | 0.74 | ABCB11 (0.49) | KMT2AALDH1A1RECQLPTPRBMAPT | |
| SCHEMBL7233451 | 0.74 | PTPRB (0.45) | NPC1RAB9AALDH1A1RECQLMMP8 | |
| SCHEMBL2925457 | 0.74 | PTPRB (0.42) | KMT2AMEN1ALDH1A1RECQLMMP8 | |
| SCHEMBL31619484 | 0.74 | PIN1 (0.46) | KMT2AMEN1HTTALDH1A1RECQL | |
| SCHEMBL1509032 | 0.73 | KMT2A (0.44) | KMT2AMEN1NPC1RAB9AALDH1A1 |
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-2225253-A1 | PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009069100-A1 | PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-06-04 | — | — | WO | disclosed |