Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9864972 | 0.98 | NPC1 (0.67) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL10417608 | 0.93 | ADRB2 (0.58) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL10645075 | 0.88 | EPHX2 (0.58) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL8781424 | 0.86 | SIGMAR1 (0.55) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL9838744 | 0.85 | HPGD (0.57) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL23775472 | 0.84 | CRHBP (0.51) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL9444390 | 0.83 | MEN1 (0.63) | MEN1KMT2AALDH1A1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL9444319 | 0.82 | MEN1 (0.62) | MEN1KMT2AALDH1A1LMNAPOLB | |
| SCHEMBL10642628 | 0.82 | ADRB2 (0.57) | NPC1RAB9AALDH1A1HPGDGAA | |
| SCHEMBL14076575 | 0.80 | HPGD (0.68) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103626742-B | Bi-aryl meta-pyrimidine inhibitors of kinases | 塔格根公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |