Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | ERN1 | O75460 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.44 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4059355 | 0.96 | ALDH1A1 (0.61) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL1487621 | 0.88 | ALDH1A1 (0.71) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL14733961 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL14931681 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL2046583 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL6759689 | 0.80 | NQO1 (0.62) | ALDH1A1KDM4EHPGDNQO1SMN1; SMN2 | |
| SCHEMBL6891370 | 0.80 | NQO1 (0.62) | ALDH1A1KDM4EHPGDNQO1SMN1; SMN2 | |
| SCHEMBL30402244 | 0.80 | TDP1 (0.52) | ALDH1A1TSHRTDP1ERN1HPGD | |
| SCHEMBL986911 | 0.80 | TDP1 (0.52) | ALDH1A1TSHRTDP1ERN1HPGD | |
| SCHEMBL547777 | 0.80 | TDP1 (0.52) | ALDH1A1TSHRTDP1ERN1HPGD |
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-4307232-A | Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-12-22 | — | — | 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 |