Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA7 | P43166 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL20880608 | 0.82 | GAA (0.46) | HTTGAAPLK1PLK3KMT2A | |
| SCHEMBL6501339 | 0.80 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29954290 | 0.76 | ERN1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28031204 | 0.73 | ESR2 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3567350 | 0.72 | ERN1 (0.48) | CA1CA2KDM5AHTTGAA | |
| SCHEMBL29876843 | 0.72 | GAA (0.50) | CA12CA2CA14KDM5AHTT | |
| SCHEMBL1939410 | 0.72 | GAA (0.50) | CA12CA2CA14KDM5AHTT | |
| SCHEMBL13354976 | 0.70 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11207914 | 0.69 | TSHR (0.44) | CA1CA2KDM5AHTTGAA | |
| SCHEMBL8989665 | 0.69 | G6PD (0.42) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3960735-B1 | QUINAZOLINE DERIVATIVES USED TO TREAT HIV | GILEAD SCIENCES INC (US) | 2023-09-13 | — | — | EP | disclosed |