Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 10/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | QPCT | Q16769 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9969614 | 0.85 | NOTUM (0.54) | NOTUMCYP19A1MAPK9MAPK10BRS3 | |
| SCHEMBL2658779 | 0.80 | QPCT (0.56) | NOTUMCYP19A1QPCTPOLBNSD2 | |
| SCHEMBL1124284 | 0.80 | CA12 (0.46) | NOTUM | |
| SCHEMBL9969615 | 0.79 | NOTUM (0.50) | NOTUMCYP19A1MAPK9MAPK10BRS3 | |
| SCHEMBL6877497 | 0.74 | NOTUM (0.60) | NOTUMCYP19A1BRS3KEAP1 | |
| SCHEMBL4328741 | 0.74 | SMN1; SMN2 (0.46) | MAPK10BRS3QPCT | |
| SCHEMBL6827358 | 0.73 | NOTUM (0.55) | NOTUMCYP19A1MAPK9MAPK10KEAP1 | |
| SCHEMBL4921031 | 0.73 | NOTUM (0.58) | NOTUMCYP19A1BRS3KEAP1 | |
| SCHEMBL533418 | 0.73 | NOTUM (0.58) | NOTUMCYP19A1BRS3KEAP1 | |
| SCHEMBL10447781 | 0.72 | NOTUM (0.78) | NOTUMCYP19A1BRS3KEAP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | claimed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | disclosed |