Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3655683 | 0.77 | RORC (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL13744464 | 0.77 | NR1I2 (0.39) | ALDH1A1CYP3A4CYP2C19KMT2ANPSR1 | |
| SCHEMBL5853978 | 0.74 | TEAD1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19APOBEC3G | |
| SCHEMBL16539957 | 0.69 | APOBEC3G (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19APOBEC3G | |
| SCHEMBL7241182 | 0.68 | HTR2A (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL7243222 | 0.68 | C5AR1 (0.41) | ALDH1A1KMT2AMEN1KDM4EC5AR1 | |
| SCHEMBL7240812 | 0.67 | C1S (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16550141 | 0.67 | APOBEC3G (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19APOBEC3G | |
| SCHEMBL10788022 | 0.67 | PTPRC (0.59) | ALDH1A1KMT2ANPSR1C5AR1LMNA | |
| SCHEMBL5853971 | 0.67 | CYP3A4 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19APOBEC3G |
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-6492403-B1 | TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-12-10 | — | — | US | disclosed |