Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL272930 | 0.94 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL27740774 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| Water SCHEMBL27715056 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| Bromide SCHEMBL29723865 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL28957077 | 0.88 | ALDH1A1 (0.37) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL29684194 | 0.86 | HPRT1 (0.50) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL984030 | 0.86 | HPRT1 (0.50) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| Quinoxaline SCHEMBL28443882 | 0.85 | CYP3A4 (0.43) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| Benzo[D]Thiazole SCHEMBL7862242 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| Piperazine SCHEMBL6950208 | 0.85 | HTR2C (0.39) | ALDH1A1HSD17B10TDP1CYP2A6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5512428-A | HAVING SILVER HALIDE EMULSION LAYER SPECTRALLY SENSITIZED BY SPECIFIED CYANINE DYE | AGFA-GEVAERT AG (DE) | 1996-04-30 | — | — | US | disclosed |