Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 6/20 | 0.42 |
| ▸ | NOS3 | P29474 | 5/20 | 0.42 |
| ▸ | NOS1 | P29475 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRE | P78334 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21425714 | 0.80 | KDM4E (0.42) | NOS2NOS3NOS1HTTPOLB | |
| SCHEMBL28488593 | 0.75 | P2RX3 (0.39) | HTTPOLBDHFRALDH1A1 | |
| SCHEMBL18315118 | 0.71 | NOS2 (0.45) | NOS2NOS3NOS1HTTGABRP | |
| SCHEMBL10400002 | 0.70 | GABRP (0.46) | NOS2NOS3NOS1GABRPGABRD | |
| SCHEMBL20909174 | 0.70 | NOS2 (0.39) | NOS2NOS3NOS1GABRPGABRD | |
| SCHEMBL17232460 | 0.70 | NOS2 (0.44) | NOS2NOS3NOS1GABRPGABRD | |
| SCHEMBL27612200 | 0.69 | HTT (0.50) | NOS2NOS3NOS1HTTPOLB | |
| SCHEMBL8259992 | 0.69 | HEXA (0.56) | HTTPOLBTDP1DHFRALDH1A1 | |
| SCHEMBL2955353 | 0.69 | TDP1 (0.43) | NOS2NOS3NOS1POLBMAPT | |
| SCHEMBL22063663 | 0.68 | NOS2 (0.42) | NOS2NOS3NOS1HTTPOLB |
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-2017040451-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |