Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | HRH2 | P25021 | 1/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL11938145 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1HRH4CYP1A2 | |
| SCHEMBL7762905 | 0.90 | ALDH1A1 (0.59) | ALDH1A1TSHRTDP1HRH4CYP1A2 | |
| SCHEMBL5604843 | 0.87 | TDP1 (0.48) | ALDH1A1TSHRTDP1HRH4CYP1A2 | |
| SCHEMBL5604639 | 0.87 | ALDH1A1 (0.45) | ALDH1A1TSHRTDP1HRH4CYP1A2 | |
| SCHEMBL14757404 | 0.85 | — | — | |
| SCHEMBL9150341 | 0.83 | — | — | |
| SCHEMBL12296396 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1HRH4CYP1A2 | |
| SCHEMBL11938143 | 0.81 | HTR7 (0.42) | ALDH1A1TSHRTDP1HRH4CYP1A2 | |
| SCHEMBL19214869 | 0.81 | CYP2C9 (0.52) | ALDH1A1TSHRTDP1HRH4CYP1A2 | |
| SCHEMBL8494545 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TSHRTDP1HRH4CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115925746-A | Porphyrin-based reducible and degradable fluorine-containing surfactant and preparation and application thereof | 中山大学 | 2023-04-07 | — | — | CN | disclosed |
| WO-2013113822-A2 | OZONE SCAVENGERS FOR NUCLEIC ACID HYBRIDIZATION EXPERIMENTS | ROCHE DIAGNOSTICS GMBH (DE) | 2013-08-08 | — | — | WO | disclosed |
| US-4285984-A | FOODS AND TOBACCO | GIVAUDAN CORPORATION (US) | 1981-08-25 | — | — | US | disclosed |
| US-4252720-A | Pyrazoline compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-24 | — | — | US | disclosed |