Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21253254 | 0.87 | CYP1A2 (0.55) | CYP1A2CYP2D6TSHRCYP2C19RAB9A | |
| SCHEMBL8547185 | 0.86 | MIF (0.53) | CYP1A2CYP2C19RAB9AKMT2ANPC1 | |
| SCHEMBL8551130 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP2D6TSHRCYP2C19RAB9A | |
| SCHEMBL8551443 | 0.83 | ALDH1A1 (0.49) | CYP1A2CYP2D6TSHRCYP2C19RAB9A | |
| SCHEMBL8553845 | 0.81 | CYP1A2 (0.46) | CYP1A2CYP2D6TSHRCYP2C19RAB9A | |
| SCHEMBL1962462 | 0.80 | CA1 (0.53) | CYP1A2TSHRCYP2C19RAB9AKMT2A | |
| SCHEMBL30368137 | 0.80 | CA1 (0.53) | CYP1A2TSHRCYP2C19RAB9AKMT2A | |
| SCHEMBL8550492 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2D6TSHRCYP2C19RAB9A | |
| SCHEMBL8549684 | 0.79 | ALDH1A1 (0.49) | CYP1A2CYP2D6TSHRCYP2C19RAB9A | |
| SCHEMBL4781165 | 0.79 | CYP1A2 (0.63) | CYP1A2CYP2D6TSHRCYP2C19RAB9A |
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 |