Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14904032 | 0.91 | TGFBR1 (0.35) | TGFBR1ACVR1KCNH2S1PR1CYP3A4 | |
| SCHEMBL12074091 | 0.85 | TGFBR1 (0.39) | TGFBR1ACVR1KCNH2S1PR1KDM4E | |
| SCHEMBL12074910 | 0.83 | ACACA (0.37) | KDM4EALDH1A1HPGDHSD17B10PDGFRB | |
| SCHEMBL12074251 | 0.82 | TDO2 (0.34) | — | |
| SCHEMBL14904031 | 0.78 | TGFBR1 (0.37) | TGFBR1ACVR1KCNH2S1PR1KDM4E | |
| SCHEMBL12074254 | 0.75 | PDGFRB (0.57) | PDGFRBPDGFRA | |
| SCHEMBL14904028 | 0.74 | PDCD1 (0.36) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL14904030 | 0.73 | PDE4A (0.33) | — | |
| SCHEMBL14904053 | 0.71 | TDO2 (0.33) | RAB9APDGFRB | |
| SCHEMBL14904061 | 0.69 | PDGFRB (0.44) | TGFBR1ACVR1KCNH2S1PR1PDGFRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011163610-A2 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2011-12-29 | — | — | WO | disclosed |