Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL12228985 | 0.81 | ALDH1A1 (0.44) | SLC22A12ALDH1A1SMN1; SMN2HPGDLMNA | |
| SCHEMBL18924294 | 0.77 | ALDH1A1 (0.49) | SLC22A12ALDH1A1PTGS1PTGS2PTPN11 | |
| SCHEMBL20197168 | 0.76 | PTGS1 (0.48) | SLC22A12PTGS1PTGS2CA1CA2 | |
| SCHEMBL22999518 | 0.73 | KDM4D (0.50) | SLC22A12ALDH1A1SMN1; SMN2PTGS1PTGS2 | |
| SCHEMBL22999832 | 0.72 | ACLY (0.54) | SLC22A12SMN1; SMN2HPGDPTGS1PTGS2 | |
| SCHEMBL12015780 | 0.71 | CYP2C19 (0.39) | ALDH1A1SMN1; SMN2HPGDLMNA | |
| SCHEMBL2556472 | 0.70 | TSHR (0.54) | SLC22A12ALDH1A1SMN1; SMN2HPGDPTGS1 | |
| SCHEMBL15885267 | 0.70 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2HPGDLMNAPOLB | |
| SCHEMBL12356613 | 0.70 | MAPK14 (0.42) | ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL25982913 | 0.69 | SMN1; SMN2 (0.36) | ALDH1A1SMN1; SMN2HPGDKDM4EPOLB |
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-9670172-B2 | Heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2017-06-06 | — | — | US | disclosed |