Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.42 |
| ▸ | P2RX1 | P51575 | 4/20 | 0.41 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4353654 | 0.84 | MAPT (0.49) | CA12CA2CA9MEN1ALDH1A1 | |
| SCHEMBL4341578 | 0.84 | POLB (0.43) | CA12CA1CA2TTRKCNMA1 | |
| SCHEMBL4342201 | 0.82 | EPHX2 (0.45) | CA12CA1CA2CA9P2RX1 | |
| SCHEMBL4341321 | 0.81 | P2RX1 (0.50) | CA12CA1CA2CA9P2RX1 | |
| SCHEMBL4357618 | 0.80 | ALDH1A1 (0.48) | CA12CA1CA9KCNMA1THRB | |
| SCHEMBL4347085 | 0.79 | CA12 (0.61) | CA12CA1CA2CA9TTR | |
| SCHEMBL4346974 | 0.78 | P2RX1 (0.51) | KCNMA1P2RX1MEN1ALDH1A1KMT2A | |
| SCHEMBL4345484 | 0.76 | HRAS (0.54) | CA12CA1CA2CA9TTR | |
| SCHEMBL4358931 | 0.75 | EPHX2 (0.49) | P2RX1TMPRSS4P2RX4P2RX7EPHX2 | |
| SCHEMBL4344004 | 0.75 | P2RX1 (0.48) | TTRKCNMA1P2RX1TRPV1MEN1 |
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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |