Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549312 | 0.88 | TSHR (0.50) | TDP1AKR1C3ALDH1A1MAPTLMNA | |
| SCHEMBL8551130 | 0.87 | CYP1A2 (0.51) | ALDH1A1MAPTLMNACA12CA1 | |
| SCHEMBL8547980 | 0.82 | ALDH1A1 (0.50) | TDP1AKR1C3ALDH1A1MAPTLMNA | |
| SCHEMBL1097335 | 0.81 | CA1 (0.53) | ALDH1A1MAPTLMNAPOLBCA12 | |
| SCHEMBL30631292 | 0.81 | CA1 (0.53) | ALDH1A1MAPTLMNAPOLBCA12 | |
| SCHEMBL8550050 | 0.79 | TDP1 (0.46) | TDP1AKR1C3ALDH1A1MAPTLMNA | |
| SCHEMBL8547825 | 0.78 | SMN1; SMN2 (0.51) | TDP1ALDH1A1MAPTLMNAPOLB | |
| SCHEMBL314 | 0.78 | AKR1C3 (0.66) | TDP1AKR1C3ALDH1A1MAPTLMNA | |
| SCHEMBL2230261 | 0.74 | AKR1C3 (0.59) | TDP1AKR1C3ALDH1A1MAPTLMNA | |
| SCHEMBL2021792 | 0.74 | CA12 (0.53) | TDP1MAPTLMNAPOLBCA12 |
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-0825187-A1 | Condensed pyridazinyl guanidines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |