Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11735706 | 0.88 | TDP1 (0.59) | TDP1CYP3A4MAOBCYP1A2TSHR | |
| SCHEMBL11735486 | 0.88 | TDP1 (0.59) | TDP1CYP3A4MAOBCYP1A2TSHR | |
| SCHEMBL11734596 | 0.86 | MAOB (0.53) | CYP3A4MAOBCYP1A2TSHRADRA2B | |
| SCHEMBL11738968 | 0.83 | TDP1 (0.64) | TDP1CYP3A4MAOBCYP1A2TSHR | |
| SCHEMBL11738541 | 0.83 | MAOB (0.44) | TDP1CYP3A4MAOBCYP1A2TSHR | |
| SCHEMBL11734295 | 0.82 | TDP1 (0.58) | TDP1CYP3A4MAOBCYP1A2TSHR | |
| SCHEMBL11639312 | 0.79 | KMT2A (0.57) | CYP3A4MAOBCYP1A2TSHRADRA2B | |
| SCHEMBL11737697 | 0.78 | MAOB (0.51) | TDP1CYP3A4MAOBCYP1A2TSHR | |
| SCHEMBL11729888 | 0.77 | MAOB (0.40) | TDP1MAOBALOX15MAPTACHE | |
| SCHEMBL11738163 | 0.77 | TDP1 (0.63) | TDP1CYP3A4MAOBCYP1A2TSHR |
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-4031219-A | ANTIARRHYTHYMICS | BOEHRINGER INGELHEIM GMBH (DT) | 1977-06-21 | — | — | US | disclosed |