Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 8/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.62 |
| ▸ | MAPT | P10636 | 7/20 | 0.62 |
| ▸ | HTT | P42858 | 5/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | IDH1 | O75874 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4342020 | 0.90 | MAPT (0.57) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL4346971 | 0.87 | PPIA (0.58) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL22092676 | 0.87 | MEN1 (0.81) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL29494941 | 0.87 | MEN1 (0.81) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL4341820 | 0.87 | MAPT (0.72) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL25348807 | 0.82 | P2RX1 (0.85) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL4347085 | 0.82 | CA12 (0.61) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL4341789 | 0.82 | MEN1 (0.56) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL4346974 | 0.80 | P2RX1 (0.51) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL4350025 | 0.80 | MEN1 (0.59) | MEN1KMT2AMAPTHTTLMNA |
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 |