Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 5/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL25811511 | 0.93 | CA1 (0.39) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL18403066 | 0.93 | TDP1 (0.42) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL19940938 | 0.92 | CA1 (0.41) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL19997953 | 0.92 | CA1 (0.41) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL13882039 | 0.92 | CA1 (0.41) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL19121197 | 0.91 | KMT2A (0.41) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL16454055 | 0.89 | CA1 (0.39) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL16326290 | 0.88 | CTSK (0.42) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL11966911 | 0.83 | ALDH1A1 (0.52) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL18124759 | 0.81 | TDP1 (0.42) | CA1CA7CA12CA14TDP1 |
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-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |