Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | VCP | P55072 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28973335 | 1.00 | RAB9A (0.53) | RAB9ANPC1ALDH1A1AKR1C3AKR1C1 | |
| Toluene SCHEMBL27671461 | 0.90 | HPGD (0.50) | RAB9ANPC1ALDH1A1AKR1C3AKR1C1 | |
| Biphenyl SCHEMBL11881576 | 0.81 | RAB9A (0.74) | RAB9ANPC1ALDH1A1AKR1C3AKR1C1 | |
| Biphenyl SCHEMBL7611759 | 0.81 | RAB9A (0.74) | RAB9ANPC1ALDH1A1AKR1C3AKR1C1 | |
| P-Xylene SCHEMBL28135790 | 0.80 | ALDH1A1 (0.51) | RAB9ANPC1ALDH1A1CES2CES1 | |
| Cyclopropane Carboxylic Acid SCHEMBL27805840 | 0.80 | TSHR (0.55) | RAB9ANPC1ALDH1A1AKR1C3AKR1C1 | |
| Benzene SCHEMBL29120356 | 0.80 | TSHR (0.55) | RAB9ANPC1ALDH1A1AKR1C3AKR1C1 | |
| SCHEMBL9442414 | 0.79 | NPC1 (0.66) | RAB9ANPC1ALDH1A1AKR1C3AKR1C1 | |
| SCHEMBL9442430 | 0.79 | NPC1 (0.66) | RAB9ANPC1ALDH1A1AKR1C3AKR1C1 | |
| Benzoic Acid SCHEMBL29039829 | 0.77 | TSHR (0.64) | RAB9ANPC1ALDH1A1AKR1C3AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115850117-A | Method for preparing 1,4-cyclohexane diisocyanate | 黎明化工研究设计院有限责任公司 | 2023-03-28 | — | — | CN | disclosed |