Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 1.00 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4274420 | 0.84 | PARP1 (0.72) | PARP1TSHRHSD17B10 | |
| SCHEMBL1499340 | 0.82 | PARP1 (0.70) | PARP1TSHRMAPTTDP1 | |
| SCHEMBL6697278 | 0.81 | PARP1 (0.68) | PARP1TSHRKDM1AMAOAMAOB | |
| Aniline SCHEMBL28655458 | 0.79 | PARP1 (0.65) | PARP1TSHRKDM1AMAOAHSD17B10 | |
| SCHEMBL1036815 | 0.78 | PARP1 (0.64) | PARP1OPRM1OPRD1HRH3PARP14 | |
| Hydrochloric Acid SCHEMBL30520457 | 0.78 | PARP1 (0.62) | PARP1 | |
| Phenol SCHEMBL28650467 | 0.77 | PARP1 (0.62) | PARP1TSHR | |
| SCHEMBL21974861 | 0.76 | TSHR (0.67) | PARP1TSHRCYP3A4CYP2C19 | |
| SCHEMBL46283 | 0.76 | TSHR (0.67) | PARP1TSHRCYP3A4CYP2C19 | |
| SCHEMBL29503161 | 0.75 | KMO (0.65) | PARP1OPRM1OPRD1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022220725-A1 | LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS | ZAMARATSKI EDOUARD (SE) | 2022-10-20 | — | — | WO | disclosed |