Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 12/20 | 0.72 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.65 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.60 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.60 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.60 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL9111830 | 0.90 | TDP1 (0.79) | TDP1HDAC3HDAC1HDAC2KARS1 | |
| SCHEMBL9112314 | 0.85 | TDP1 (0.82) | TDP1HDAC3HDAC1HDAC2KARS1 | |
| SCHEMBL11817724 | 0.85 | TDP1 (0.82) | TDP1HDAC3HDAC1HDAC2KARS1 | |
| SCHEMBL20856806 | 0.85 | TDP1 (0.82) | TDP1HDAC3HDAC1HDAC2KARS1 | |
| SCHEMBL29975241 | 0.83 | TDP1 (0.79) | TDP1HDAC3HDAC1HDAC2KARS1 | |
| SCHEMBL9107959 | 0.83 | TDP1 (0.78) | TDP1HDAC3HDAC1HDAC2KARS1 | |
| SCHEMBL9109761 | 0.82 | TDP1 (0.76) | TDP1HDAC3HDAC1HDAC2KARS1 | |
| SCHEMBL20874417 | 0.82 | TDP1 (0.76) | TDP1HDAC3HDAC1HDAC2KARS1 | |
| SCHEMBL289598 | 0.81 | MEN1 (0.77) | TDP1KARS1MEN1CYP3A4KMT2A | |
| SCHEMBL14496633 | 0.80 | TDP1 (0.76) | TDP1KARS1MEN1CYP3A4KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0650961-B1 | Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments | HOECHST AG (DE) | 1997-03-05 | — | — | EP | disclosed |
| EP-0650961-A1 | Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-05-03 | — | — | EP | disclosed |