Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HK1 | P19367 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | TYMP | P19971 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27894484 | 0.87 | MEN1 (0.33) | ALDH1A1MAPTCNR1MEN1KMT2A | |
| SCHEMBL27877864 | 0.84 | HSD17B1 (0.36) | MAPTCNR1MEN1KMT2AHSD17B1 | |
| SCHEMBL27877664 | 0.84 | CNR1 (0.41) | ALDH1A1MAPTRAB9ACNR1MEN1 | |
| SCHEMBL27877663 | 0.81 | ESRRG (0.37) | ALDH1A1HPGDMAPTHK1RAB9A | |
| SCHEMBL27894480 | 0.79 | CNR1 (0.44) | ALDH1A1MAPTRAB9ACNR1MEN1 | |
| SCHEMBL8842433 | 0.76 | RAPGEF4 (0.46) | ALDH1A1MAPTMEN1KMT2AIDO1 | |
| SCHEMBL27894532 | 0.76 | ACHE (0.37) | ALDH1A1HPGDMAPTHK1RAB9A | |
| SCHEMBL27894478 | 0.75 | KMT2A (0.53) | ALDH1A1HPGDMAPTRAB9AMEN1 | |
| SCHEMBL28137854 | 0.67 | IDO1 (0.42) | ALDH1A1HPGDMAPTRAB9AMEN1 | |
| SCHEMBL27894479 | 0.67 | MEN1 (0.35) | ALDH1A1MAPTCNR1MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104628741-A | Novel compounds and therapeutic use thereof for protein kinase inhibition | WU ZHANGGUI | 2015-05-20 | — | — | CN | claimed |
| CN-102711475-B | Novel compounds and their therapeutic use for inhibiting protein kinases | WU ZHANGGUI | 2015-01-28 | — | — | CN | claimed |
| CN-102711475-A | Novel compounds and their therapeutic use for inhibiting protein kinases | ZHANGGUI WU | 2012-10-03 | — | — | CN | claimed |
| CN-104628741-A | Novel compounds and therapeutic use thereof for protein kinase inhibition | WU ZHANGGUI | 2015-05-20 | — | — | CN | disclosed |
| CN-102711475-B | Novel compounds and their therapeutic use for inhibiting protein kinases | WU ZHANGGUI | 2015-01-28 | — | — | CN | disclosed |