Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.55 |
| ▸ | CA2 | P00918 | 9/20 | 0.55 |
| ▸ | CA9 | Q16790 | 4/20 | 0.51 |
| ▸ | F2 | P00734 | 3/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | IL1RN | P18510 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31670545 | 0.88 | CA1 (0.67) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL67270 | 0.88 | CA1 (0.67) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL7913940 | 0.76 | CA1 (0.64) | CA1CA2CA9TDP1MAPT | |
| SCHEMBL9796322 | 0.75 | CA2 (0.64) | CA1CA2CA9TDP1MAPT | |
| SCHEMBL30230622 | 0.74 | CA2 (0.61) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL1805285 | 0.74 | CA2 (0.61) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL2405304 | 0.74 | F2 (0.61) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL29964265 | 0.74 | F2 (0.61) | CA1CA2CA9F2PRSS1 | |
| Lithium Ion SCHEMBL38988 | 0.73 | F2 (0.56) | CA1CA2CA9F2PRSS1 | |
| Potassium Ion SCHEMBL38171 | 0.73 | F2 (0.56) | CA1CA2CA9F2PRSS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-3991097-A | BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-11-09 | — | — | US | disclosed |