Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 2/20 | 0.42 |
| ▸ | TLR1 | Q15399 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 3/20 | 0.40 |
| ▸ | S100A4 | P26447 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL31463506 | 0.88 | KCNJ1 (0.43) | ALDH1A1HIF1AKCNJ1KCNH2NPC1 | |
| SCHEMBL1127509 | 0.88 | KCNJ1 (0.43) | ALDH1A1HIF1AKCNJ1KCNH2NPC1 | |
| SCHEMBL1644779 | 0.82 | HSD17B10 (0.49) | ALDH1A1KCNJ1KCNH2NPC1RAB9A | |
| SCHEMBL28056041 | 0.82 | PTPRC (0.44) | ALDH1A1KCNJ1KCNH2NPC1RAB9A | |
| SCHEMBL4265596 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KCNJ1KCNH2PTPRCS100A4 | |
| SCHEMBL28062313 | 0.79 | KCNJ1 (0.43) | ALDH1A1KCNJ1KCNH2NPC1RAB9A | |
| SCHEMBL8689842 | 0.79 | HSD17B10 (0.49) | ALDH1A1KCNJ1KCNH2PTPRCS100A4 | |
| SCHEMBL3888275 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KCNJ1KCNH2PTPRCS100A4 | |
| SCHEMBL4910527 | 0.77 | ALDH1A1 (0.67) | ALDH1A1HIF1APTPRCS100A4TDP1 | |
| SCHEMBL28062384 | 0.76 | KCNJ1 (0.39) | ALDH1A1KCNJ1KCNH2RAB9APTPRC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009058919-A1 | CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-07 | — | — | WO | disclosed |
| WO-2009058919-A1 | CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-07 | — | — | WO | disclosed |