Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.56 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.55 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Benzoic Acid 2-Methylpropyl Ester SCHEMBL298176 | 0.93 | TSHR (0.69) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| Benzoic Acid 2-Methylpropyl Ester SCHEMBL20530394 | 0.93 | TSHR (0.69) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| Benzoic Acid 2-Methylpropyl Ester SCHEMBL27827529 | 0.91 | TSHR (0.67) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| Benzoic Acid 2-Methylpropyl Ester SCHEMBL28242226 | 0.91 | TSHR (0.67) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL22667354 | 0.88 | ADRB2 (0.68) | ALDH1A1ADRB2ADRB1ADRB3LMNA | |
| Benzoic Acid 2-Methylpropyl Ester SCHEMBL31190186 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL11349165 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL110051 | 0.83 | ALDH1A1 (0.64) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL24325565 | 0.82 | LMNA (0.65) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL17928312 | 0.82 | LMNA (0.55) | ALDH1A1TSHRADRB2ADRB1ADRB3 |
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-108601958-A | Pro-perfume compositions | 爱客多有限公司 | 2018-09-28 | — | — | CN | disclosed |