Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22208149 | 1.00 | NOS1 (0.34) | NOS1PARP1AHRCYP1A2CYP2A6 | |
| SCHEMBL22208148 | 0.80 | KDM4E (0.34) | PARP1CYP1A2CYP2A6TSHRGRIN1 | |
| SCHEMBL30065085 | 0.80 | KDM4E (0.34) | PARP1CYP1A2CYP2A6TSHRGRIN1 | |
| SCHEMBL23043148 | 0.79 | CYP1A2 (0.38) | PARP1AHRCYP1A2CYP2A6TSHR | |
| SCHEMBL29931540 | 0.79 | CYP1A2 (0.38) | PARP1AHRCYP1A2CYP2A6TSHR | |
| SCHEMBL29230986 | 0.78 | KCNH2 (0.33) | — | |
| SCHEMBL23206118 | 0.76 | PARP1 (0.39) | NOS1PARP1AHRCYP1A2CYP2A6 | |
| SCHEMBL31552358 | 0.72 | TNF (0.33) | — | |
| SCHEMBL20974931 | 0.72 | NOS1 (0.37) | NOS1PARP1AHRCYP1A2CYP2A6 | |
| SCHEMBL24308562 | 0.72 | NOS1 (0.37) | NOS1PARP1AHRCYP1A2CYP2A6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024083168-A1 | OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF | GENENTECH, INC. (US) | 2024-04-25 | — | — | WO | disclosed |
| EP-4329757-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Amgen Inc. (US) | 2024-03-06 | — | — | EP | disclosed |
| EP-4087573-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-11-16 | — | — | EP | disclosed |
| WO-2022232331-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2022-11-03 | — | — | WO | disclosed |