Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.52 |
| ▸ | HPGD | P15428 | 7/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TXN | P10599 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 3/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23295264 | 0.78 | TXN (0.70) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL368458 | 0.77 | TXN (0.73) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL18035794 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL28760766 | 0.75 | ALDH1A1 (0.60) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL29612927 | 0.75 | ALDH1A1 (0.60) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL2421519 | 0.74 | PRKDC (0.49) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL2422679 | 0.74 | HPGD (0.44) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL9304371 | 0.73 | NPC1 (0.51) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL4768370 | 0.73 | GPR119 (0.55) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11876412 | 0.72 | NPC1 (0.49) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1220842-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001025200-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-12 | — | — | WO | disclosed |