Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPIA | P62937 | 1/20 | 0.58 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 6/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4344002 | 0.90 | PPIA (0.56) | PPIAP2RX1MEN1KMT2AMAPT | |
| SCHEMBL4353650 | 0.87 | MAPT (0.63) | PPIAMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL4356349 | 0.87 | MEN1 (0.62) | P2RX1MEN1KMT2AMAPTHTT | |
| SCHEMBL4345484 | 0.82 | HRAS (0.54) | PPIAMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL4345759 | 0.80 | ALDH1A1 (0.51) | PPIAMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL28529066 | 0.79 | MAPK1 (0.53) | PPIAP2RX1MEN1KMT2AMAPT | |
| SCHEMBL4357526 | 0.79 | ALDH1A1 (0.50) | PPIAMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL25348807 | 0.78 | P2RX1 (0.85) | P2RX1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL4342020 | 0.77 | MAPT (0.57) | P2RX1MEN1KMT2AMAPTHTT | |
| SCHEMBL25249421 | 0.77 | MAPT (0.68) | P2RX1MEN1KMT2AMAPTALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |