Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4341989 | 0.84 | PKM (0.44) | PKMMEN1KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL4348627 | 0.83 | PKM (0.43) | PKMMEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL1859915 | 0.76 | EPHX2 (0.46) | PKMMEN1KMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL4349504 | 0.76 | NPC1 (0.39) | PKMMEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL4350022 | 0.74 | PKM (0.44) | PKMMEN1KMT2ACYP2C19CYP2C9 | |
| SCHEMBL4347359 | 0.74 | PKM (0.44) | PKMMEN1KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL4347618 | 0.74 | PKM (0.39) | PKMMEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL4347757 | 0.73 | PTGES (0.36) | HSD17B10CYP2C9ALDH1A1KDM4EMAPT | |
| SCHEMBL4345564 | 0.72 | RAB9A (0.63) | MEN1KMT2ACYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL4354698 | 0.71 | CYP2C19 (0.47) | PKMMEN1KMT2ACYP1A2CYP2C19 |
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 2 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 |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |