Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1D | P48730 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 8/20 | 0.50 |
| ▸ | MGLL | Q99685 | 5/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347124 | 0.86 | EPHX2 (0.48) | MEN1KMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4344552 | 0.84 | NAMPT (0.57) | MEN1KMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4350091 | 0.82 | MAPT (0.53) | CSNK1DMEN1KMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL4561504 | 0.82 | MAPT (0.54) | MEN1KMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4347446 | 0.79 | MAPT (0.66) | RAB9ASMN1; SMN2NPC1MAPTALDH1A1 | |
| SCHEMBL12846511 | 0.78 | SMN1; SMN2 (0.49) | MEN1KMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4502451 | 0.78 | MAPT (0.50) | MEN1KMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4352804 | 0.78 | MAPT (0.56) | MEN1KMT2ARAB9ASMN1; SMN2RXFP1 | |
| SCHEMBL4341723 | 0.75 | MAPT (0.49) | MEN1KMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4354538 | 0.75 | SMN1; SMN2 (0.52) | MEN1KMT2ARAB9ASMN1; SMN2RXFP1 |
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 5 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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |