Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.40 |
| ▸ | MEN1 | O00255 | 8/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7609359 | 0.92 | CYP2A6 (0.38) | ALDH1A1KMT2AMEN1TSHRCYP19A1 | |
| SCHEMBL10784956 | 0.84 | ALOX15 (0.52) | ALDH1A1KMT2AMEN1CYP3A4LMNA | |
| SCHEMBL1129210 | 0.84 | SMN1; SMN2 (0.43) | ALDH1A1KMT2AMEN1CYP2C19CYP2D6 | |
| SCHEMBL12441784 | 0.82 | MEN1 (0.57) | ALDH1A1KMT2AMEN1HTTLMNA | |
| SCHEMBL7932610 | 0.80 | NPSR1 (0.53) | KMT2AMEN1HTTLMNATSHR | |
| SCHEMBL28076982 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1HTTCYP3A4 | |
| SCHEMBL28076984 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1HTTCYP3A4 | |
| Alcohol SCHEMBL28494115 | 0.75 | ALDH1A1 (0.72) | ALDH1A1KMT2AMEN1HTTCYP3A4 | |
| SCHEMBL1056429 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TSHRSMN1; SMN2POLBESR1 | |
| SCHEMBL26289900 | 0.73 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1HTTCYP3A4 |
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-5922898-A | Process for preparing biaryl compounds | CATALYTICA PHARMACEUTICALS, INC. (US) | 1999-07-13 | — | — | US | disclosed |