Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.51 |
| ▸ | F2 | P00734 | 2/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30950382 | 0.86 | CYP2C19 (0.65) | CYP2C19CA1CA2MEP1BAKR1C3 | |
| SCHEMBL572417 | 0.86 | CYP2C19 (0.65) | CYP2C19CA1CA2MEP1BAKR1C3 | |
| SCHEMBL5821176 | 0.80 | BCAT1 (0.44) | CA1CA2KDM4ETSHRKMT2A | |
| SCHEMBL11806033 | 0.76 | CYP2C19 (0.56) | CYP2C19CA1CA2MEP1BAKR1C3 | |
| SCHEMBL8520680 | 0.75 | CYP2C19 (0.50) | CYP2C19CA1CA2MEP1BAKR1C3 | |
| SCHEMBL11452292 | 0.74 | POLB (0.53) | CYP2C19CA1CA2MEP1BAKR1C3 | |
| SCHEMBL22916896 | 0.74 | CA1 (0.68) | CYP2C19CA1CA2MEP1BAKR1C3 | |
| SCHEMBL31401470 | 0.74 | F2 (0.54) | CYP2C19CA1CA2MEP1BAKR1C3 | |
| SCHEMBL3245644 | 0.74 | CA1 (0.68) | CYP2C19CA1CA2MEP1BAKR1C3 | |
| SCHEMBL3188896 | 0.72 | CYP2C19 (0.48) | CYP2C19CA1CA2MEP1BAKR1C3 |
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 |