Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL30726196 | 0.79 | PARP1 (0.40) | PARP1VCPKDM4EDPP4CYP1A2 | |
| SCHEMBL11213329 | 0.79 | PARP1 (0.37) | PARP1VCPKDM4EDPP4CYP1A2 | |
| SCHEMBL248016 | 0.79 | PARP1 (0.40) | PARP1VCPKDM4EDPP4CYP1A2 | |
| SCHEMBL3709776 | 0.77 | PARP1 (0.36) | PARP1VCPTSHRKDM4EDPP4 | |
| SCHEMBL8243510 | 0.77 | PARP1 (0.42) | PARP1VCPNPC1RAB9AHIF1A | |
| SCHEMBL31550151 | 0.77 | PARP1 (0.42) | PARP1VCPNPC1RAB9AHIF1A | |
| SCHEMBL4444491 | 0.76 | PARP1 (0.41) | PARP1VCPKDM4EDPP4CYP1A2 | |
| SCHEMBL16048452 | 0.74 | SLC6A2 (0.43) | TSHRKDM4ECYP2D6NPSR1MAPK1 | |
| SCHEMBL19028362 | 0.74 | UGT2B7 (0.44) | PARP1TSHRKDM4ECYP1A2CYP2D6 | |
| SCHEMBL20764902 | 0.74 | PARP1 (0.35) | PARP1VCPKDM4EDPP4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0041672-B1 | PROCESS FOR THE PREPARATION OF AROMATIC ALDEHYDES | BAYER AG (DE) | 1983-09-28 | — | — | EP | disclosed |
| EP-0041672-A1 | Process for the preparation of aromatic aldehydes | BAYER AG (DE) | 1981-12-16 | — | — | EP | disclosed |