Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 4/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | F11 | P03951 | 4/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29500236 | 1.00 | NOTUM (0.43) | NOTUMABL1F11KLKB1NR4A2 | |
| SCHEMBL24327689 | 0.86 | F11 (0.46) | NOTUMABL1F11KLKB1CYP3A4 | |
| SCHEMBL29500242 | 0.86 | F11 (0.46) | NOTUMABL1F11KLKB1CYP3A4 | |
| SCHEMBL24466660 | 0.78 | NOTUM (0.55) | NOTUMABL1GABRA2GABRB2 | |
| SCHEMBL24466661 | 0.78 | NOTUM (0.55) | NOTUMABL1GABRA2GABRB2 | |
| SCHEMBL20649282 | 0.75 | NOTUM (0.48) | NOTUMALDH1A1 | |
| SCHEMBL20359547 | 0.74 | NOTUM (0.50) | NOTUM | |
| SCHEMBL29479362 | 0.74 | NOTUM (0.50) | NOTUM | |
| SCHEMBL25323110 | 0.73 | MAPK1 (0.49) | NOTUMGAAKDM4EALDH1A1LMNA | |
| SCHEMBL22924815 | 0.72 | NOTUM (0.54) | NOTUMGABRA2GABRB2 |
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-117120418-A | Process for the preparation of compound (I) | 百时美施贵宝公司 | 2023-11-24 | — | — | CN | disclosed |
| WO-2022081473-A1 | A PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}-1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B] [1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-04-21 | — | — | WO | disclosed |