Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.76 |
| ▸ | RAB9A | P51151 | 1/20 | 0.76 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.51 |
| ▸ | HTR3A | P46098 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23010600 | 0.85 | HTR3A (0.63) | NPC1RAB9AHTR3ATP53BCHE | |
| SCHEMBL6236251 | 0.84 | NPC1 (0.58) | NPC1RAB9AHRH4HTR3AKDM4E | |
| SCHEMBL6884875 | 0.84 | NPC1 (0.58) | NPC1RAB9AHRH4HTR3AKDM4E | |
| SCHEMBL19145306 | 0.84 | TP53 (0.64) | NPC1RAB9AHTR3AKDM4ETP53 | |
| SCHEMBL28001120 | 0.82 | TRPC3 (0.68) | NPC1RAB9AHTR3ATP53TSHR | |
| SCHEMBL5309716 | 0.80 | BCHE (0.71) | NPC1RAB9AHRH4HTR3ATP53 | |
| SCHEMBL19145516 | 0.75 | NPC1 (0.46) | NPC1RAB9AHRH4HTR3AKDM4E | |
| SCHEMBL14046591 | 0.75 | NPC1 (0.74) | NPC1RAB9AHRH4HTR3ATP53 | |
| SCHEMBL25809621 | 0.75 | BCHE (0.72) | NPC1RAB9AHRH4HTR3ATP53 | |
| SCHEMBL14046593 | 0.75 | NPC1 (0.70) | NPC1RAB9AHRH4HTR3ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021030620-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-02-18 | — | — | WO | disclosed |
| WO-2011084371-A1 | AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |