Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19085982 | 0.89 | KDM4E (0.39) | KDM4ESMN1; SMN2RAB9AMAOBMAOA | |
| SCHEMBL19086208 | 0.85 | KDM1A (0.44) | KDM4ESMN1; SMN2RAB9AMAOBMAOA | |
| SCHEMBL19085980 | 0.85 | PRMT5 (0.40) | HDAC6 | |
| SCHEMBL19086045 | 0.81 | HDAC6 (0.43) | RAB9AHDAC6NPC1 | |
| SCHEMBL19086004 | 0.80 | PRMT5 (0.39) | RAB9AHDAC6KDM1ANPC1 | |
| SCHEMBL19086979 | 0.80 | MAOB (0.39) | KDM4EMAOBALDH1A1HDAC6HCRTR2 | |
| SCHEMBL19086168 | 0.79 | MAOB (0.38) | KDM4ESMN1; SMN2RAB9AMAOBMAOA | |
| SCHEMBL19085977 | 0.78 | NPC1 (0.45) | KDM4ERAB9AMAOBMAPTHDAC6 | |
| SCHEMBL19085987 | 0.77 | KDM1A (0.41) | SMN1; SMN2RAB9AALDH1A1HPGDHCRTR2 | |
| SCHEMBL19085978 | 0.76 | ROCK2 (0.46) | RAB9AMAOBMAOANPC1 |
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-2017114275-A1 | COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME | 成都先导药物开发有限公司 | 2017-07-06 | — | — | WO | disclosed |