Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL314557 | 0.79 | HTR2A (0.41) | TRPA1HTR2AALDH1A1TSHRGLA | |
| SCHEMBL7554085 | 0.78 | HTR2A (0.46) | HTR2AAHRGLATDP1 | |
| SCHEMBL5458073 | 0.78 | HTR2A (0.46) | HTR2AAHRGLATDP1 | |
| SCHEMBL5458068 | 0.78 | HTR2A (0.46) | HTR2AAHRGLATDP1 | |
| SCHEMBL6028210 | 0.77 | HTR2A (0.39) | HTR2AALDH1A1TSHRAHR | |
| SCHEMBL16877102 | 0.75 | ALDH1A1 (0.45) | TRPA1ALDH1A1TSHRTDP1 | |
| SCHEMBL9219688 | 0.74 | ALDH1A1 (0.40) | TRPA1ALDH1A1TSHR | |
| SCHEMBL555263 | 0.74 | HTR2A (0.48) | HTR2AALDH1A1TSHRTDP1 | |
| SCHEMBL10909428 | 0.74 | RIPK1 (0.38) | TRPA1HTR2AALDH1A1TSHRAHR | |
| SCHEMBL9537967 | 0.74 | MEN1 (0.42) | TRPA1HTR2ATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | claimed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |
| CN-104844430-B | A kind of preparation method of light trigger 4 '-methylol-2-hydroxy-2-methyl-1-phenyl-1-propyl group ketone | 三峡大学 | 2017-01-04 | — | — | CN | disclosed |