Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9040400 | 0.79 | TDP1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9040146 | 0.78 | CA12 (0.42) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9794854 | 0.76 | CA1 (0.42) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9794850 | 0.75 | CA1 (0.51) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9038966 | 0.75 | CA12 (0.51) | CA1CA2CA12CA7CA9 | |
| SCHEMBL12180510 | 0.75 | CA1 (0.54) | CA1CA2CA12CA7CA9 | |
| SCHEMBL15576924 | 0.74 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL28510538 | 0.73 | CA1 (0.66) | CA1CA2CA12CA7CA9 | |
| SCHEMBL70217 | 0.73 | CA1 (0.66) | CA1CA2CA12CA7CA9 | |
| SCHEMBL87450 | 0.73 | CA1 (0.83) | CA1CA2CA12CA7CA9 |
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-0400562-B1 | Pyrrolopyrimidines, their production and use as tumoricidal agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-08-21 | — | — | EP | disclosed |
| EP-0400562-A1 | Pyrrolopyrimidines, their production and use as tumoricidal agents | Takeda Chemical Industries, Ltd. (JP) | 1990-12-05 | — | — | EP | disclosed |