Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.47 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.46 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5315809 | 0.85 | APEX1 (0.63) | MAP1LC3BMAP1LC3AAPEX1MAOAMTNR1A | |
| SCHEMBL7696215 | 0.81 | EPHX2 (0.55) | PARP1MAP1LC3BMAP1LC3AAPEX1PARP15 | |
| SCHEMBL17048425 | 0.81 | MTNR1A (0.49) | MAP1LC3BMAP1LC3AAPEX1MTNR1AMTNR1B | |
| SCHEMBL1397499 | 0.75 | PARP1 (0.57) | PARP1PARP15PARP10CYP1A2CYP2C9 | |
| SCHEMBL29378080 | 0.75 | HSD17B10 (0.67) | PARP1APEX1PARP15PARP10KIF11 | |
| SCHEMBL28443286 | 0.75 | HSD17B10 (0.67) | PARP1APEX1PARP15PARP10KIF11 | |
| SCHEMBL18807057 | 0.75 | PARP1 (0.57) | PARP1APEX1PARP15PARP10CYP1A2 | |
| SCHEMBL30633020 | 0.74 | PARP1 (0.47) | PARP1APEX1PARP15PARP10KIF11 | |
| SCHEMBL5313145 | 0.74 | MAOA (0.50) | MAP1LC3BMAP1LC3AMAOAMTNR1AMTNR1B | |
| SCHEMBL10919344 | 0.72 | MTNR1A (0.40) | MAP1LC3BMAP1LC3AAPEX1MAOAMTNR1A |
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-2007064869-A2 | CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES | YALE UNIVERSITY (US) | 2007-06-07 | — | — | WO | disclosed |