Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1831584 | 0.77 | TSHR (0.38) | ALDH1A1RAB9ATSHRCYP1A2CYP3A4 | |
| SCHEMBL11796042 | 0.76 | TSHR (0.45) | ALDH1A1RAB9ATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL18053344 | 0.70 | LMNA (0.38) | ALDH1A1RAB9ATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL29929033 | 0.70 | LMNA (0.38) | ALDH1A1RAB9ATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL7524542 | 0.69 | ALDH1A1 (0.35) | ALDH1A1RAB9ATSHRCYP1A2CYP2C19 | |
| SCHEMBL11582658 | 0.69 | LMNA (0.46) | ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL15820195 | 0.66 | MEN1 (0.37) | ALDH1A1RAB9ATSHRMAPTKDM4E | |
| SCHEMBL11525930 | 0.66 | ALDH1A1 (0.41) | ALDH1A1RAB9ATSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL1451358 | 0.66 | POLB (0.57) | ALDH1A1RAB9ATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL19318635 | 0.66 | POLB (0.57) | ALDH1A1RAB9ATSHRSMN1; SMN2CYP1A2 |
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-5591854-A | CATALYTIC CONDENSATION OF DIENES AND VINYLDIAZOMETHANEESTERS | WAKE FOREST UNIVERSITY (US) | 1997-01-07 | — | — | US | disclosed |