Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CPA1 | P15085 | 3/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 4/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28466856 | 1.00 | NPC1 (0.40) | NPC1ADAM17ALDH1A1CYP3A4MEN1 | |
| SCHEMBL22100789 | 1.00 | NPC1 (0.40) | NPC1ADAM17ALDH1A1CYP3A4MEN1 | |
| SCHEMBL1231564 | 0.86 | SERPINH1 (0.39) | ALDH1A1MEN1KMT2APOLBKDM4E | |
| SCHEMBL25188334 | 0.82 | MAPT (0.30) | NPC1ALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL25325569 | 0.81 | CNR1 (0.37) | CNR1 | |
| SCHEMBL25325573 | 0.81 | CNR1 (0.37) | CNR1 | |
| SCHEMBL23006109 | 0.80 | LMNA (0.39) | NPC1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL22100792 | 0.78 | TAAR1 (0.40) | MAPK1RIPK1 | |
| SCHEMBL22100802 | 0.78 | TAAR1 (0.40) | MAPK1RIPK1 | |
| SCHEMBL28460556 | 0.78 | TAAR1 (0.40) | MAPK1RIPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109134433-B | Compound for inhibiting ROCK and application thereof | 成都先导药物开发股份有限公司 | 2021-05-25 | — | — | CN | disclosed |
| CN-109134367-B | Compound for inhibiting ROCK and application thereof | 成都先导药物开发股份有限公司 | 2020-10-02 | — | — | CN | disclosed |