Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 6/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345612 | 0.85 | HTT (0.66) | MEN1KMT2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL4345759 | 0.84 | ALDH1A1 (0.51) | MEN1KMT2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL3801985 | 0.81 | HTT (0.68) | MEN1KMT2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL4341820 | 0.81 | MAPT (0.72) | MEN1KMT2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL7448057 | 0.80 | ALDH1A1 (0.48) | MEN1KMT2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL6975312 | 0.80 | MAPT (0.54) | MEN1KMT2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL6975308 | 0.80 | MAPT (0.54) | MEN1KMT2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL4356349 | 0.79 | MEN1 (0.62) | MEN1KMT2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL4347085 | 0.79 | CA12 (0.61) | MEN1KMT2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL4347168 | 0.79 | KMT2A (0.61) | MEN1KMT2ASMN1; SMN2MAPTNPC1 |
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 |