Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10831867 | 0.89 | HPGD (0.55) | HPGDALDH1A1LMNASMN1; SMN2CYP3A4 | |
| SCHEMBL9087640 | 0.86 | TSHR (0.51) | HPGDTSHRALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL9833015 | 0.82 | HPGD (0.48) | HPGDALDH1A1LMNASMN1; SMN2PTPN1 | |
| SCHEMBL543367 | 0.81 | ALDH1A1 (0.54) | HPGDTSHRALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL30786123 | 0.80 | TP53 (0.50) | HPGDALDH1A1SMN1; SMN2USP2TP53 | |
| SCHEMBL30786121 | 0.80 | TP53 (0.50) | HPGDALDH1A1SMN1; SMN2USP2TP53 | |
| SCHEMBL31466650 | 0.76 | HPGD (0.62) | HPGDTSHRALDH1A1LMNAAKR1C3 | |
| SCHEMBL27536048 | 0.76 | DTYMK (0.52) | HPGDALDH1A1LMNAAKR1C3AKR1C2 | |
| SCHEMBL8996846 | 0.76 | SMN1; SMN2 (0.51) | HPGDALDH1A1LMNASMN1; SMN2CYP3A4 | |
| SCHEMBL7924787 | 0.75 | TSHR (0.57) | HPGDTSHRALDH1A1LMNAAKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0163238-B1 | SUBSTITUTED AND BRIDGED PYRIDINES USEFUL AS PHARMACEUTICAL AGENTS | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |