Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | PNP | P00491 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL27948315 | 0.82 | TRPA1 (0.52) | TRPA1PBRM1TSHRCES2CES1 | |
| SCHEMBL27995185 | 0.78 | TRPA1 (0.43) | TRPA1PBRM1TSHRCES2CES1 | |
| SCHEMBL3952853 | 0.78 | PBRM1 (0.47) | TRPA1PBRM1TSHRHTR2ATAAR1 | |
| Water SCHEMBL5164513 | 0.78 | PBRM1 (0.47) | TRPA1PBRM1TSHRHTR2ATAAR1 | |
| SCHEMBL7007862 | 0.76 | ESR1 (0.47) | TRPA1PBRM1TSHRHTR2ATAAR1 | |
| SCHEMBL11022144 | 0.76 | TRPA1 (0.50) | TRPA1PBRM1TSHRCES2CES1 | |
| SCHEMBL1546681 | 0.73 | TSHR (0.52) | TRPA1PBRM1TSHRKDM4E | |
| SCHEMBL1546683 | 0.73 | TSHR (0.52) | TRPA1PBRM1TSHRKDM4E | |
| SCHEMBL1553978 | 0.73 | TAAR1 (0.52) | TRPA1PBRM1TSHRTAAR1MEN1 | |
| SCHEMBL1557313 | 0.73 | SCN4A (0.45) | TRPA1PBRM1TSHRHTR2ATAAR1 |
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-4165315-A | CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT | ELI LILLY AND COMPANY (US) | 1979-08-21 | — | — | US | claimed |