Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1710090 | 0.94 | TDP1 (0.54) | ALDH1A1L3MBTL1TDP1KDM4EGLA | |
| SCHEMBL18312558 | 0.92 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1TDP1KDM4EGLA | |
| SCHEMBL10491992 | 0.92 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1TDP1KDM4EGLA | |
| P-Xylene SCHEMBL817546 | 0.89 | DRD2 (0.55) | ALDH1A1L3MBTL1TDP1KDM4EGLA | |
| SCHEMBL4101620 | 0.88 | L3MBTL1 (0.61) | ALDH1A1L3MBTL1TDP1KDM4EMAPT | |
| SCHEMBL5349206 | 0.88 | L3MBTL1 (0.61) | ALDH1A1L3MBTL1TDP1KDM4EMAPT | |
| SCHEMBL1592876 | 0.85 | TDP1 (0.60) | ALDH1A1L3MBTL1TDP1KDM4EGLA | |
| SCHEMBL18090997 | 0.85 | SMN1; SMN2 (0.57) | ALDH1A1L3MBTL1KDM4EMAPTLMNA | |
| SCHEMBL23267297 | 0.85 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TDP1KDM4EGLA | |
| SCHEMBL1710099 | 0.85 | TDP1 (0.51) | ALDH1A1L3MBTL1TDP1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3274340-B1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL PHARMA INC (US) | 2019-07-17 | — | — | EP | disclosed |