Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL642483 | 1.00 | AKR1C1 (0.37) | AKR1C1SLC6A2SLC6A4SLC6A3NPSR1 | |
| Hydrochloric Acid SCHEMBL1357987 | 0.98 | AKR1C1 (0.36) | AKR1C1SLC6A2SLC6A4SLC6A3NPSR1 | |
| Bromide SCHEMBL7340605 | 0.98 | AKR1C1 (0.36) | AKR1C1SLC6A2SLC6A4SLC6A3NPSR1 | |
| Bromide SCHEMBL7342624 | 0.84 | EPHX1 (0.38) | SLC6A2SLC6A4SLC6A3ALDH1A1HPGD | |
| Bromide SCHEMBL7347333 | 0.79 | ELANE (0.40) | SLC6A2SLC6A3NPSR1ALDH1A1HPGD | |
| SCHEMBL7366551 | 0.78 | OPRM1 (0.32) | — | |
| SCHEMBL10969403 | 0.76 | SLC6A2 (0.37) | AKR1C1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL18280875 | 0.76 | AKR1C1 (0.34) | AKR1C1SLC6A2SLC6A4SLC6A3NPSR1 | |
| SCHEMBL7380300 | 0.76 | ELANE (0.31) | — | |
| SCHEMBL11234892 | 0.72 | ALDH1A1 (0.39) | AKR1C1ALDH1A1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4736066-A | Intermediate for substituted peptide compounds | E. R. SQUIBB & SONS, INC. (US) | 1988-04-05 | — | — | US | disclosed |
| US-4535176-A | HYPOTENSIVE AGENTS, ANALGESICS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1985-08-13 | — | — | US | disclosed |
| US-4514391-A | HYPOTENSIVE AGENTS; ANALGESICS | E. R. SQUIBB & SONS, INC. (US) | 1985-04-30 | — | — | US | disclosed |
| EP-0132304-A2 | Hydroxy substituted peptide compounds | E.R. Squibb & Sons, Inc. (US) | 1985-01-30 | — | — | EP | disclosed |
| US-4470973-A | HYPOTENSIVE AGENTS, ANALGESICS | E. R. SQUIBB & SONS, INC. (US) | 1984-09-11 | — | — | US | disclosed |