Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 4/20 | 0.59 |
| ▸ | PGR | P06401 | 10/20 | 0.59 |
| ▸ | AR | P10275 | 4/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 6/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.53 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7204631 | 0.94 | ABCB11 (0.57) | ABCB11PGRARNR3C1NR1I2 | |
| SCHEMBL7204614 | 0.93 | ABCB11 (0.60) | ABCB11PGRARNR3C1NR1I2 | |
| SCHEMBL7209170 | 0.91 | ABCB11 (0.57) | ABCB11PGRARNR3C1NR1I2 | |
| SCHEMBL7204579 | 0.91 | PGR (0.52) | ABCB11PGRARNR3C1NR1I2 | |
| SCHEMBL7210548 | 0.91 | ABCB11 (0.62) | ABCB11PGRARNR3C1NR1I2 | |
| SCHEMBL8502593 | 0.90 | ABCB11 (0.60) | ABCB11PGRARNR3C1NR1I2 | |
| SCHEMBL8504524 | 0.88 | ABCB11 (0.60) | ABCB11PGRARNR3C1NR1I2 | |
| SCHEMBL7205794 | 0.84 | ABCB11 (0.60) | ABCB11PGRARNR3C1NR1I2 | |
| SCHEMBL11328916 | 0.83 | PGR (0.62) | ABCB11PGRARNR3C1NR1I2 | |
| SCHEMBL11125406 | 0.82 | PGR (0.65) | ABCB11PGRARNR3C1NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6610675-B1 | Identifying nontoxic therapeutically inactive metabolite of drug which elicits particular therapeutic response, converting inactive metabolite into activated structurally related drug species which cleaves in vivo to inactive metabolite | Bodor, Nicholas S. | 2003-08-26 | — | — | US | disclosed |
| US-4996335-A | Soft steroids having anti-inflammatory activity | Bodor, Nicholas S. (US) | 1991-02-26 | — | — | US | disclosed |