Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 8/20 | 0.67 |
| ▸ | RAB9A | P51151 | 7/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.63 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.61 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.61 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | PLAU | P00749 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065405 | 0.89 | RXFP1 (0.67) | RXFP1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL22025452 | 0.86 | RXFP1 (0.64) | RXFP1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL22065214 | 0.85 | NPC1 (0.62) | NPC1RAB9AALDH1A1MAPTKCNK3 | |
| SCHEMBL22065291 | 0.84 | MEN1 (0.68) | RXFP1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL10055020 | 0.83 | NPC1 (0.94) | RXFP1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL22025454 | 0.83 | RXFP1 (0.70) | RXFP1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4251080 | 0.82 | NPC1 (0.81) | RXFP1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL30862297 | 0.82 | RXFP1 (0.94) | RXFP1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4251968 | 0.82 | RXFP1 (0.94) | RXFP1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL22065285 | 0.82 | BRAF (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |