Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PNLIP | P16233 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL22452986 | 0.93 | AKR1C3 (0.40) | TOP1PTGS2CYP3A4PNLIPTDP1 | |
| SCHEMBL22453441 | 0.92 | TDP1 (0.37) | TOP1CYP3A4PNLIPTDP1LMNA | |
| SCHEMBL22453332 | 0.87 | LMNA (0.41) | TOP1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL22453398 | 0.83 | KMT2A (0.37) | TOP1PNLIPTDP1LMNAKDM4E | |
| SCHEMBL22453074 | 0.81 | PARP1 (0.41) | PTGS2CYP3A4PNLIPTDP1LMNA | |
| SCHEMBL22453760 | 0.79 | RAB9A (0.40) | TOP1PNLIPALDH1A1MEN1KMT2A | |
| SCHEMBL22452447 | 0.78 | KMT2A (0.41) | TOP1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL22453356 | 0.77 | HTR2C (0.32) | MEN1KMT2AEPHX2 | |
| SCHEMBL22453205 | 0.77 | MAPT (0.46) | CYP3A4PNLIPMAPTALOX15HIF1A | |
| SCHEMBL22453480 | 0.76 | MAPT (0.52) | PTGS2ALDH1A1KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020190774-A1 | NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS | THE GENERAL HOSPITAL CORPORATION (US) | 2020-09-24 | — | — | WO | disclosed |