Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL779789 | 0.82 | MAPK1 (0.52) | NPC1RAB9APOLBCYP2C9MAPK1 | |
| Water SCHEMBL27961448 | 0.80 | MAPK1 (0.50) | NPC1RAB9APOLBCYP2C9MAPK1 | |
| SCHEMBL129672 | 0.80 | CYP2C19 (0.53) | SMN1; SMN2CYP2C19CYP1A2KMT2ACYP4F2 | |
| SCHEMBL120251 | 0.79 | NPC1 (0.64) | NPC1RAB9APOLBCYP2C9KMT2A | |
| SCHEMBL1626915 | 0.78 | APP (0.55) | RAB9ASMN1; SMN2LMNAKMT2AMAPT | |
| Phenol SCHEMBL28873361 | 0.78 | ESR1 (0.50) | NPC1RAB9APOLBCYP2C9MAPK1 | |
| SCHEMBL1643008 | 0.76 | HSD17B1 (0.53) | LMNACYP2C19CYP1A2KMT2AMAPT | |
| SCHEMBL1653535 | 0.76 | KIF11 (0.45) | POLBCYP2C9SMN1; SMN2LMNACYP2C19 | |
| SCHEMBL3433869 | 0.75 | KIF11 (0.49) | NPC1RAB9APOLBCYP2C9MAPK1 | |
| SCHEMBL826639 | 0.74 | KMT2A (0.45) | NPC1RAB9AMAPK1SMN1; SMN2LMNA |
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-2013097629-A1 | PREPARATION METHOD OF AMOROLFINE HYDROCHLORIDE | 浙江海翔药业股份有限公司 (CN) | 2013-07-04 | — | — | WO | disclosed |