Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8103472 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TAAR1KMT2AMEN1MAPT | |
| SCHEMBL6188895 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TAAR1KMT2AMEN1MAPT | |
| SCHEMBL8675296 | 0.78 | ALDH1A1 (0.45) | ALDH1A1TAAR1KMT2AMEN1MAPT | |
| SCHEMBL8028437 | 0.71 | TAAR1 (0.50) | TAAR1KMT2AMEN1MAPTCYP2C19 | |
| Benzene SCHEMBL28101078 | 0.71 | ALDH1A1 (1.00) | ALDH1A1KMT2AL3MBTL1POLB | |
| SCHEMBL960 | 0.71 | ALDH1A1 (1.00) | ALDH1A1KMT2AL3MBTL1POLB | |
| SCHEMBL7425728 | 0.70 | TAAR1 (0.52) | ALDH1A1TAAR1KMT2AMEN1MAPT | |
| SCHEMBL7551204 | 0.69 | KMT2A (0.67) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL137476 | 0.69 | ALDH1A1 (0.67) | ALDH1A1KMT2AMEN1MAPTCYP2C9 | |
| SCHEMBL28942580 | 0.69 | ALDH1A1 (0.96) | ALDH1A1KMT2AL3MBTL1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998057173-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-17 | — | — | WO | disclosed |