Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX1 | P51575 | 3/20 | 0.43 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.43 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4348078 | 0.89 | TSHR (0.45) | P2RX1P2RX4P2RX7TMPRSS4MEN1 | |
| SCHEMBL4341619 | 0.86 | P2RX1 (0.46) | P2RX1P2RX4P2RX7TMPRSS4MEN1 | |
| SCHEMBL4348034 | 0.86 | MEN1 (0.38) | P2RX1P2RX4P2RX7TMPRSS4MEN1 | |
| SCHEMBL4345622 | 0.83 | ESR1 (0.44) | TMPRSS4MEN1KMT2ANPSR1MAPT | |
| SCHEMBL4342201 | 0.79 | EPHX2 (0.45) | P2RX1P2RX4P2RX7TMPRSS4MEN1 | |
| SCHEMBL6814394 | 0.78 | MAPT (0.49) | P2RX1P2RX4P2RX7TMPRSS4MEN1 | |
| SCHEMBL4341696 | 0.76 | P2RX1 (0.54) | P2RX1P2RX4P2RX7TMPRSS4MEN1 | |
| SCHEMBL4346166 | 0.76 | TSHR (0.49) | P2RX1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL4349759 | 0.76 | NPSR1 (0.43) | P2RX1P2RX4P2RX7TMPRSS4MEN1 | |
| SCHEMBL4342472 | 0.76 | P2RY1 (0.41) | P2RX1P2RX4P2RX7TMPRSS4MEN1 |
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 |