Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ARG1 | P05089 | 1/20 | 0.48 |
| ▸ | ARG2 | P78540 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28138068 | 0.87 | CACNA1H (0.49) | GLACYP3A4TSHREPHX2CYP1A2 | |
| SCHEMBL28137988 | 0.86 | ALDH1A1 (0.65) | SMN1; SMN2CYP3A4TSHRCYP1A2CYP2C19 | |
| SCHEMBL19158944 | 0.83 | KMT2A (0.60) | KMT2ASMN1; SMN2CYP3A4TSHREPHX2 | |
| SCHEMBL1147428 | 0.75 | PANK3 (0.64) | KMT2ASMN1; SMN2CA12CA1CA2 | |
| SCHEMBL1147224 | 0.75 | KMT2A (0.52) | KMT2ASMN1; SMN2CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL1160508 | 0.74 | KMT2A (0.51) | KMT2ASMN1; SMN2CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL1160745 | 0.74 | PANK3 (0.63) | KMT2ASMN1; SMN2CA12CA1CA2 | |
| SCHEMBL22218903 | 0.73 | KMT2A (0.73) | KMT2ASMN1; SMN2CA12CA1CA2 | |
| SCHEMBL4508859 | 0.73 | KMT2A (0.90) | KMT2ASMN1; SMN2CA12CA1CA2 | |
| SCHEMBL11888888 | 0.73 | CA12 (0.54) | KMT2ACA12CA1CA2CA9 |
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-104169258-B | novel heterocyclic carboxamides as modulators of kinase activity | 默克专利有限公司 | 2017-03-01 | — | — | CN | disclosed |