Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL11678229 | 0.92 | NPC1 (0.42) | ALDH1A1TSHRCYP3A4HSD17B10TP53 | |
| SCHEMBL11680940 | 0.91 | CYP3A4 (0.40) | ALDH1A1TSHRCYP3A4HSD17B10TP53 | |
| SCHEMBL11680971 | 0.89 | SOAT1 (0.41) | ALDH1A1TSHRCYP3A4HSD17B10TP53 | |
| SCHEMBL11681217 | 0.85 | TSHR (0.44) | ALDH1A1TSHRCYP3A4HSD17B10TP53 | |
| SCHEMBL11679087 | 0.84 | NPC1 (0.43) | ALDH1A1TSHRHSD17B10MAPTKDM4E | |
| SCHEMBL11678810 | 0.81 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP3A4HSD17B10TP53 | |
| SCHEMBL11679119 | 0.80 | NPC1 (0.35) | ALDH1A1HSD17B10TP53TDP1MAPT | |
| SCHEMBL4269009 | 0.78 | NPC1 (0.45) | ALDH1A1HSD17B10TP53TDP1MAPT | |
| SCHEMBL11677998 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4HSD17B10TP53 | |
| SCHEMBL11676609 | 0.74 | NPC1 (0.34) | ALDH1A1TSHRCYP3A4HSD17B10TP53 |
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-4056617-A | Organic pyridazyl phosphorothioates and their use as insecticides | SANKYO COMPANY LIMITED (JA) | 1977-11-01 | — | — | US | disclosed |