Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11659644 | 1.00 | ALDH1A1 (0.44) | ALDH1A1ALOX15PTPN1HSD17B10LMNA | |
| SCHEMBL14084008 | 0.77 | ALDH1A1 (0.33) | ALDH1A1ALOX15PTPN1HSD17B10LMNA | |
| SCHEMBL7848629 | 0.76 | ALDH1A1 (0.48) | ALDH1A1ALOX15PTPN1HSD17B10LMNA | |
| SCHEMBL3137231 | 0.76 | ALDH1A1 (0.48) | ALDH1A1ALOX15PTPN1HSD17B10LMNA | |
| SCHEMBL3137233 | 0.76 | ALDH1A1 (0.48) | ALDH1A1ALOX15PTPN1HSD17B10LMNA | |
| SCHEMBL26906450 | 0.74 | ALDH1A1 (0.47) | ALDH1A1ALOX15PTPN1HSD17B10LMNA | |
| SCHEMBL8744844 | 0.73 | — | — | |
| SCHEMBL27997655 | 0.73 | — | — | |
| SCHEMBL113776 | 0.72 | — | — | |
| SCHEMBL1871028 | 0.72 | ALDH1A1 (0.65) | ALDH1A1ALOX15PTPN1HSD17B10LMNA |
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-4079076-A | TREATING NITRO COMPOUNDS WITH PHOSPHORUS TRICHLORIDE IN THE PRESENCE OF PYRIDINE | HOFFMANN-LA ROCHE, INC. (US) | 1978-03-14 | — | — | US | disclosed |