Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | TP53 | P04637 | 2/20 | 0.63 |
| ▸ | RAB9A | P51151 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13397928 | 0.79 | ALDH1A1 (0.40) | ALDH1A1NPC1TP53RAB9ACYP1A2 | |
| SCHEMBL9134459 | 0.78 | ALDH1A1 (0.65) | ALDH1A1NPC1TP53RAB9ACYP1A2 | |
| SCHEMBL13416946 | 0.75 | ALDH1A1 (0.38) | ALDH1A1NPC1TP53RAB9ACYP1A2 | |
| SCHEMBL14865924 | 0.75 | MAOA (0.74) | ALDH1A1NPC1TP53RAB9ACYP1A2 | |
| SCHEMBL14866102 | 0.75 | MAOA (0.74) | ALDH1A1NPC1TP53RAB9ACYP1A2 | |
| SCHEMBL13739541 | 0.72 | ALDH1A1 (0.57) | ALDH1A1NPC1TP53RAB9ACYP1A2 | |
| SCHEMBL9134683 | 0.71 | MAOA (0.57) | ALDH1A1NPC1TP53RAB9ACYP1A2 | |
| SCHEMBL9134679 | 0.71 | MAOA (0.57) | ALDH1A1NPC1TP53RAB9ACYP1A2 | |
| SCHEMBL14020218 | 0.71 | ALDH1A1 (0.56) | ALDH1A1NPC1TP53RAB9ACYP1A2 | |
| SCHEMBL14866160 | 0.69 | MAOA (0.63) | ALDH1A1NPC1TP53RAB9ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5405968-A | Useful as drugs, for producing singlet oxygen, sensitizers in electrophotographic layers and for photopolymerizations and as laser light sensitive dyes in optical recording media | BASF AKTIENGESELLSCHAFT (DE) | 1995-04-11 | — | — | US | disclosed |
| EP-0579638-B1 | POLYKETOMETHINE DYES | BASF AG (DE) | 1994-10-26 | — | — | EP | disclosed |
| EP-0579638-A1 | POLYKETOMETHINE DYES. | BASF AG (DE) | 1994-01-26 | — | — | EP | disclosed |
| WO-1992017549-A2 | POLYKETOMETHINE DYES | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-15 | — | — | WO | disclosed |