Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.55 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.49 |
| ▸ | IDH1 | O75874 | 2/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4356349 | 0.90 | MEN1 (0.62) | MAPTMEN1KMT2ALMNAHTT | |
| SCHEMBL4344002 | 0.87 | PPIA (0.56) | MAPTMEN1KMT2ALMNAHTT | |
| SCHEMBL4341820 | 0.82 | MAPT (0.72) | MAPTMEN1KMT2ALMNAHTT | |
| SCHEMBL4344004 | 0.79 | P2RX1 (0.48) | MAPTMEN1KMT2ALMNAHTT | |
| SCHEMBL6975312 | 0.79 | MAPT (0.54) | MAPTMEN1KMT2ALMNAHTT | |
| SCHEMBL5187322 | 0.79 | MEN1 (0.85) | MAPTMEN1KMT2ALMNAHTT | |
| SCHEMBL12499571 | 0.79 | P2RY1 (0.75) | MAPTMEN1KMT2ALMNAHTT | |
| SCHEMBL6975308 | 0.79 | MAPT (0.54) | MAPTMEN1KMT2ALMNAHTT | |
| SCHEMBL4348458 | 0.78 | MEN1 (0.51) | MAPTMEN1KMT2ALMNAHTT | |
| SCHEMBL25348807 | 0.78 | P2RX1 (0.85) | MAPTMEN1KMT2ALMNAHTT |
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 3 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 |
| 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 |