Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | HPGD | P15428 | 8/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11390907 | 0.81 | SMN1; SMN2 (0.47) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL11038185 | 0.76 | HPGD (0.43) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6614645 | 0.76 | CYP1A2 (0.44) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL11021658 | 0.74 | PTGS2 (0.53) | ALDH1A1HPGDSMN1; SMN2MAPK1NPSR1 | |
| SCHEMBL4548450 | 0.72 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL11287405 | 0.71 | MTNR1A (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL11066120 | 0.69 | MAPT (0.51) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL16202001 | 0.68 | CYP1A2 (0.48) | SMN1; SMN2RAB9AKMT2ATP53MAPT | |
| SCHEMBL6615348 | 0.68 | CYP1A2 (0.48) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL22897465 | 0.67 | CYP1A2 (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0157259-A1 | 3-Mercapto-1,2,4-triazacycloalcadiene derivatives | CIBA-GEIGY AG (CH) | 1985-10-09 | — | — | EP | claimed |