Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.76 |
| ▸ | MAPT | P10636 | 4/20 | 0.76 |
| ▸ | HPGD | P15428 | 3/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.76 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.52 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347091 | 0.88 | MAPT (0.68) | MEN1KMT2AMAPTHPGDSMN1; SMN2 | |
| SCHEMBL5446620 | 0.86 | MEN1 (0.74) | MEN1KMT2AMAPTHPGDSMN1; SMN2 | |
| SCHEMBL4354177 | 0.86 | MEN1 (0.57) | MEN1KMT2AMAPTHPGDSMN1; SMN2 | |
| SCHEMBL4341575 | 0.85 | MEN1 (0.59) | MEN1KMT2AMAPTHPGDSMN1; SMN2 | |
| SCHEMBL4353650 | 0.84 | MAPT (0.63) | MEN1KMT2AMAPTHPGDSMN1; SMN2 | |
| SCHEMBL4347021 | 0.83 | MEN1 (0.64) | MEN1KMT2AMAPTHPGDSMN1; SMN2 | |
| SCHEMBL6672203 | 0.78 | MEN1 (0.56) | MEN1KMT2AMAPTHPGDSMN1; SMN2 | |
| SCHEMBL4343714 | 0.78 | RAB9A (0.63) | MEN1KMT2AMAPTHPGDSMN1; SMN2 | |
| SCHEMBL4349794 | 0.78 | MAPT (0.67) | MEN1KMT2AMAPTHPGDSMN1; SMN2 | |
| SCHEMBL27782815 | 0.78 | MAPT (0.67) | MEN1KMT2AMAPTHPGDSMN1; 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 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 |