Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | FFAR2 | O15552 | 5/20 | 0.37 |
| ▸ | LSS | P48449 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6076910 | 0.89 | TACR1 (0.42) | ALDH1A1HTTRAB9ANPC1AOC3 | |
| SCHEMBL6076905 | 0.89 | TACR1 (0.42) | ALDH1A1HTTRAB9ANPC1AOC3 | |
| SCHEMBL6414063 | 0.87 | RIPK1 (0.47) | ALDH1A1NPC1AOC3TP53 | |
| SCHEMBL6414059 | 0.87 | RIPK1 (0.47) | ALDH1A1NPC1AOC3TP53 | |
| SCHEMBL6077308 | 0.87 | USP30 (0.47) | ALDH1A1 | |
| SCHEMBL6077313 | 0.87 | USP30 (0.47) | ALDH1A1 | |
| SCHEMBL6420129 | 0.86 | USP30 (0.39) | ALDH1A1HTTRAB9AAOC3FFAR2 | |
| SCHEMBL6420127 | 0.86 | USP30 (0.39) | ALDH1A1HTTRAB9AAOC3FFAR2 | |
| SCHEMBL6419940 | 0.84 | RIPK1 (0.38) | ALDH1A1HTT | |
| SCHEMBL6419943 | 0.84 | RIPK1 (0.38) | ALDH1A1HTT |
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-7109186-B2 | 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-19 | — | — | US | disclosed |