Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345586 | 0.84 | LMNA (0.51) | SMN1; SMN2MEN1KMT2AALOX12MAPT | |
| SCHEMBL4348819 | 0.84 | MEN1 (0.54) | SMN1; SMN2MEN1KMT2AALOX12MAPT | |
| SCHEMBL4345433 | 0.80 | MAOB (0.66) | SMN1; SMN2MEN1KMT2AALOX12MAPT | |
| SCHEMBL4358617 | 0.76 | MAPT (0.52) | SMN1; SMN2MEN1KMT2AALOX12MAPT | |
| SCHEMBL4357807 | 0.76 | MAPT (0.54) | SMN1; SMN2MEN1KMT2AALOX12MAPT | |
| SCHEMBL4345595 | 0.76 | MEN1 (0.46) | SMN1; SMN2MEN1KMT2AALOX12MAPT | |
| SCHEMBL4345459 | 0.76 | MEN1 (0.46) | SMN1; SMN2MEN1KMT2AALOX12MAPT | |
| SCHEMBL4349820 | 0.73 | ALOX12 (0.56) | SMN1; SMN2MEN1KMT2AALOX12MAPT | |
| SCHEMBL4347019 | 0.73 | ALOX12 (0.59) | SMN1; SMN2MEN1KMT2AALOX12MAPT | |
| SCHEMBL4355354 | 0.73 | ALDH1A1 (0.63) | SMN1; SMN2MEN1KMT2AALOX12MAPT |
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 |