Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | GAA | P10253 | 3/20 | 0.62 |
| ▸ | PKM | P14618 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 6/20 | 0.56 |
| ▸ | GLA | P06280 | 2/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18608561 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAPKMMAPT | |
| SCHEMBL9130493 | 0.82 | CNR1 (0.56) | KDM4EGAAGLATHRBTP53 | |
| SCHEMBL9383435 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAPKMMAPT | |
| SCHEMBL18608352 | 0.80 | LMNA (0.55) | ALDH1A1KDM4EGAAPKMMAPT | |
| SCHEMBL9129589 | 0.79 | KDM4E (0.65) | ALDH1A1KDM4EGAAPKMMAPT | |
| SCHEMBL24345093 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4EGAAMAPTHPGD | |
| SCHEMBL6868053 | 0.78 | NSD2 (0.48) | ALDH1A1KDM4EGAAPKMMAPT | |
| SCHEMBL6868054 | 0.78 | NSD2 (0.48) | ALDH1A1KDM4EGAAPKMMAPT | |
| SCHEMBL5717801 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KDM4EGAAPKMMAPT | |
| SCHEMBL9128569 | 0.77 | TP53 (0.60) | ALDH1A1KDM4EGAAMAPTHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5387588-A | Antiulcer agents | CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1995-02-07 | — | — | US | disclosed |
| US-5158951-A | Pyridopyrimidine derivatives useful in treatment of ulcers | CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYAR RT. (HU) | 1992-10-27 | — | — | US | disclosed |