Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.51 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16971093 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CES2CES1TP53MEN1 | |
| SCHEMBL16979582 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CES2CES1TP53MEN1 | |
| SCHEMBL7312492 | 0.86 | GLO1 (0.54) | ALDH1A1CES2CES1TP53MEN1 | |
| SCHEMBL6661151 | 0.83 | TSHR (0.60) | ALDH1A1CES2CES1TP53MEN1 | |
| SCHEMBL6661153 | 0.83 | TSHR (0.60) | ALDH1A1CES2CES1TP53MEN1 | |
| SCHEMBL7275168 | 0.82 | ALDH1A1 (0.49) | ALDH1A1CES2CES1TP53MEN1 | |
| SCHEMBL14416438 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CES2CES1TP53MEN1 | |
| SCHEMBL563406 | 0.79 | TP53 (0.52) | ALDH1A1CES2CES1TP53MEN1 | |
| SCHEMBL21457629 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CES2CES1TP53MEN1 | |
| SCHEMBL10539195 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CES2CES1TP53MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0183848-B1 | POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1990-09-12 | — | — | EP | disclosed |
| US-4918074-A | CALCIUM ANTAGONISTS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0217142-A2 | A polyazaheterocyclic compound | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1987-04-08 | — | — | EP | disclosed |
| EP-0183848-A1 | POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1986-06-11 | — | — | EP | disclosed |