Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349866 | 0.86 | IDO1 (0.56) | MAPTMAOBALDH1A1MEN1HTT | |
| SCHEMBL4355842 | 0.83 | MEN1 (0.57) | MAPTCNR1NPC1RAB9AALDH1A1 | |
| SCHEMBL4347956 | 0.82 | ALDH1A1 (0.58) | MAPTKDM4EMAOBNOX1CNR1 | |
| SCHEMBL4355354 | 0.82 | ALDH1A1 (0.63) | MAPTKDM4EMAOBNOX1NPC1 | |
| SCHEMBL5445907 | 0.81 | MAPT (0.75) | MAPTKDM4EMAOBNOX1CNR1 | |
| SCHEMBL8956455 | 0.81 | MAPT (0.75) | MAPTKDM4EMAOBNOX1CNR1 | |
| SCHEMBL11060530 | 0.80 | CNR1 (0.70) | MAPTKDM4EMAOBNOX1CNR1 | |
| SCHEMBL8956193 | 0.80 | CNR1 (0.70) | MAPTKDM4EMAOBNOX1CNR1 | |
| SCHEMBL4346164 | 0.79 | MAOB (0.60) | MAPTKDM4EMAOBNOX1NPC1 | |
| SCHEMBL4353864 | 0.79 | CDK1 (0.51) | MAPTKDM4EALDH1A1GAAL3MBTL1 |
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 |