Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.56 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.46 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PRF1 | P14222 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14156856 | 0.82 | CYP2A6 (0.62) | CYP2A6TRIM24TRIM33ALDH1A1TSHR | |
| SCHEMBL20954493 | 0.78 | CYP2A6 (0.56) | CYP2A6TRIM24TRIM33ALDH1A1CYP1A2 | |
| SCHEMBL21828957 | 0.78 | CYP2A6 (0.56) | CYP2A6TRIM24TRIM33ALDH1A1ERN1 | |
| SCHEMBL4602845 | 0.78 | CYP2A6 (0.56) | CYP2A6TRIM24TRIM33ALDH1A1ERN1 | |
| SCHEMBL25032981 | 0.76 | CYP2A6 (0.55) | CYP2A6TRIM24TRIM33ALDH1A1ERN1 | |
| SCHEMBL8404365 | 0.76 | CYP1A2 (0.48) | CYP2A6ALDH1A1TSHRCYP1A2AHR | |
| SCHEMBL10692882 | 0.75 | PTGS1 (0.38) | CYP2A6CYP1A2PTGS1PTGS2KDM4E | |
| SCHEMBL10692886 | 0.75 | PTGS1 (0.38) | CYP2A6CYP1A2PTGS1PTGS2KDM4E | |
| SCHEMBL20954351 | 0.74 | CYP2A6 (0.51) | CYP2A6ALDH1A1ERN1MEN1LMNA | |
| SCHEMBL20954531 | 0.74 | CYP2A6 (0.51) | CYP2A6ALDH1A1ERN1MEN1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4737516-A | FUNGICIDES | SANDOZ LTD. (CH) | 1988-04-12 | — | — | US | disclosed |
| US-4017313-A | Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-04-12 | — | — | US | disclosed |