Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | PDE4A | P27815 | 1/20 | 0.57 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4350724 | 0.86 | MEN1 (0.58) | MEN1KMT2AMAPTRAB9AALDH1A1 | |
| SCHEMBL4346604 | 0.83 | MAPT (0.53) | MEN1KMT2AMAPTRAB9AALDH1A1 | |
| SCHEMBL4358553 | 0.82 | MEN1 (0.71) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4350351 | 0.82 | SMN1; SMN2 (0.63) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL25348233 | 0.81 | TOP1 (0.56) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL11048619 | 0.81 | MEN1 (0.76) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4741253 | 0.81 | MEN1 (0.76) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL14758356 | 0.80 | MEN1 (0.75) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL11055930 | 0.80 | CNR1 (0.70) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4548119 | 0.80 | CNR1 (0.70) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 |
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 |