Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | RECQL | P46063 | 1/20 | 0.74 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PTPRB | P23467 | 2/20 | 0.46 |
| ▸ | MMP8 | P22894 | 2/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ACP1 | P24666 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11124323 | 0.88 | ALDH1A1 (0.78) | ALDH1A1RECQLPKMKDM4ETHRB | |
| SCHEMBL6782409 | 0.87 | ALDH1A1 (0.76) | ALDH1A1RECQLPKMKDM4ETHRB | |
| SCHEMBL9556731 | 0.87 | ALDH1A1 (0.76) | ALDH1A1RECQLPKMKDM4ETHRB | |
| SCHEMBL6503711 | 0.86 | PKM (0.57) | ALDH1A1RECQLPKMKDM4ETHRB | |
| SCHEMBL9556830 | 0.86 | ALDH1A1 (0.74) | ALDH1A1RECQLPKMKDM4ETHRB | |
| SCHEMBL27631086 | 0.86 | ALDH1A1 (0.74) | ALDH1A1RECQLPKMKDM4ETHRB | |
| SCHEMBL8495876 | 0.86 | ALDH1A1 (0.74) | ALDH1A1RECQLPKMKDM4ETHRB | |
| SCHEMBL25942340 | 0.86 | ALDH1A1 (0.74) | ALDH1A1RECQLPKMKDM4ETHRB | |
| SCHEMBL589164 | 0.86 | ALDH1A1 (0.74) | ALDH1A1RECQLPKMKDM4ETHRB | |
| SCHEMBL6557653 | 0.86 | ALDH1A1 (0.74) | ALDH1A1RECQLPKMKDM4ETHRB |
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-0421436-A2 | Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity | WARNER-LAMBERT COMPANY (US) | 1991-04-10 | — | — | EP | disclosed |