Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9652106 | 0.93 | TDP1 (0.54) | TDP1CA2CA12ADAMTS4CA1 | |
| SCHEMBL687580 | 0.89 | TDP1 (0.61) | TDP1CA2CA12CA1CA9 | |
| SCHEMBL2058543 | 0.87 | TDP1 (0.69) | TDP1CA2CA12ADAMTS4CA1 | |
| SCHEMBL21409343 | 0.86 | TDP1 (0.59) | TDP1CA2CA12CA1CA9 | |
| SCHEMBL6882273 | 0.85 | TDP1 (0.56) | TDP1CA2CA12CA1CA9 | |
| Biphenyl SCHEMBL28818524 | 0.81 | TDP1 (0.66) | TDP1CA2CA12ADAMTS4CA1 | |
| SCHEMBL11313379 | 0.81 | TDP1 (0.61) | TDP1CA2CA12ADAMTS4CA1 | |
| SCHEMBL10950314 | 0.80 | TDP1 (0.58) | TDP1CA2CA12ADAMTS4CA1 | |
| SCHEMBL8442031 | 0.80 | TDP1 (0.58) | TDP1CA2CA12ADAMTS4CA1 | |
| SCHEMBL19146 | 0.79 | TDP1 (0.73) | TDP1CA2CA12CA1CA9 |
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-111511363-A | C5aR inhibitors for the treatment of chemotherapy-induced iatrogenic pain | 多姆皮制药公司 | 2020-08-07 | — | — | CN | claimed |