Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL28362258 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MAPTATMHSP90AA1CES2 | |
| Thiobenzoic Acid SCHEMBL6688437 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTHSP90AA1CES2CES1 | |
| Thiobenzoic Acid SCHEMBL28659756 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPTATMHSP90AA1CES2 | |
| Thiobenzoic Acid SCHEMBL28615094 | 0.79 | CES1 (0.36) | ALDH1A1MAPTATMHSP90AA1CES2 | |
| Thiobenzoic Acid SCHEMBL2591799 | 0.78 | MAPT (0.40) | ALDH1A1MAPTATMHSP90AA1POLB | |
| Thiobenzoic Acid SCHEMBL28199536 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPTHSP90AA1CES2CES1 | |
| Thiobenzoic Acid SCHEMBL37018 | 0.78 | — | — | |
| Thiobenzoic Acid SCHEMBL160729 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPTHSP90AA1CES2CES1 | |
| Thiobenzoic Acid SCHEMBL15282156 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPTHSP90AA1CES2CES1 | |
| Thiobenzoic Acid SCHEMBL28371585 | 0.77 | KMT2A (0.44) | ALDH1A1MAPTATMPOLBHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-20140329982-A1 | METHOD FOR PRODUCING PURIFIED NITRILE RUBBERS | LANXESS DEUTSCHLAND GMBH (DE) | 2014-11-06 | — | — | US | disclosed |