Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL28791798 | 0.90 | ITGB1 (0.51) | VCAM1ITGB1ITGA5NPSR1ALDH1A1 | |
| SCHEMBL27416551 | 0.86 | TSHR (0.55) | VCAM1ALDH1A1TSHRMAPTNPC1 | |
| SCHEMBL27832784 | 0.82 | VCAM1 (0.55) | VCAM1NPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL27448923 | 0.81 | KMT2A (0.40) | ATMVCAM1NPSR1ALDH1A1HPGD | |
| SCHEMBL28043907 | 0.81 | ITGB1 (0.41) | ATMTDP1VCAM1ITGB1ITGA5 | |
| SCHEMBL357203 | 0.80 | ATM (0.47) | ATMTDP1VCAM1ITGB1ITGA5 | |
| SCHEMBL29966142 | 0.80 | ATM (0.47) | ATMTDP1VCAM1ITGB1ITGA5 | |
| SCHEMBL27834939 | 0.80 | TDP1 (0.42) | ATMTDP1ITGB1ITGA5ALDH1A1 | |
| SCHEMBL27487269 | 0.79 | POLB (0.50) | ATMTDP1ALDH1A1TSHRKMT2A | |
| SCHEMBL27415134 | 0.79 | PDK1 (0.41) | VCAM1NPSR1ALDH1A1HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105164122-A | Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders | Bayer Pharma AG | 2015-12-16 | — | — | CN | disclosed |