Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9096295 | 0.89 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TP53MAPK1KDM4E | |
| SCHEMBL22184950 | 0.76 | CNR2 (0.52) | ALDH1A1HSD17B10MAPK1KDM4ETSHR | |
| SCHEMBL22185224 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TP53MAPK1KDM4E | |
| SCHEMBL22184948 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TP53MAPK1KDM4E | |
| SCHEMBL7807602 | 0.73 | MEN1 (0.68) | ALDH1A1HSD17B10TP53MAPK1KDM4E | |
| SCHEMBL6172271 | 0.72 | RAB9A (0.51) | ALDH1A1HSD17B10TP53MAPK1KDM4E | |
| SCHEMBL15450950 | 0.71 | KDM4E (0.56) | ALDH1A1HSD17B10TP53MAPK1KDM4E | |
| SCHEMBL9230612 | 0.70 | KDM4E (0.48) | ALDH1A1HSD17B10KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL22185229 | 0.70 | IDH1 (0.57) | ALDH1A1HSD17B10TP53MAPK1KDM4E | |
| SCHEMBL11401085 | 0.69 | NQO2 (0.53) | ALDH1A1HSD17B10TP53KDM4ETSHR |
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-5605905-A | DIAZAQUINOMICIN ANALOGS | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1997-02-25 | — | — | US | disclosed |
| EP-0574195-A1 | Antitumoral aza- and diazaanthracenes | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1993-12-15 | — | — | EP | disclosed |