Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5148779 | 0.76 | MALT1 (0.49) | MGLLPTGS2MALT1 | |
| SCHEMBL23141453 | 0.66 | ESR2 (0.46) | ALDH1A1KDM4EMAPTESR2ESR1 | |
| SCHEMBL6681207 | 0.66 | PTGS2 (0.61) | ALDH1A1KDM4EMAPTESR2HDAC1 | |
| SCHEMBL5421023 | 0.66 | RPA1 (0.50) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL11068449 | 0.65 | NPC1 (0.59) | MAPTESR2TP53ALOX15TSHR | |
| SCHEMBL5148683 | 0.65 | CA1 (0.48) | PTGS2MALT1 | |
| SCHEMBL5148689 | 0.65 | PTGS2 (0.51) | ALDH1A1KDM4EMAPTESR2ESR1 | |
| SCHEMBL5148870 | 0.64 | ESR2 (0.50) | ALDH1A1KDM4EMAPTESR2TDP1 | |
| SCHEMBL5152310 | 0.64 | PTGS2 (0.53) | ESR2CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL5150700 | 0.64 | PTGS2 (0.51) | MGLLPTGS2MALT1 |
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-1567503-B1 | PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS | ASTELLAS PHARMA INC (JP) | 2011-12-21 | — | — | EP | disclosed |