Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | ECE2 | P0DPD6 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6567577 | 0.98 | KMT2A (0.58) | KMT2ACA2ECE2SMN1; SMN2NPC1 | |
| SCHEMBL13825973 | 0.82 | SIGMAR1 (0.52) | KMT2ACA2CA1SIGMAR1OPRK1 | |
| SCHEMBL16002874 | 0.81 | SIGMAR1 (0.54) | KMT2ACA2SMN1; SMN2CA1SIGMAR1 | |
| SCHEMBL6565612 | 0.81 | HPGD (0.53) | KMT2AECE2SMN1; SMN2NPC1HPGD | |
| SCHEMBL6565694 | 0.80 | SMN1; SMN2 (0.56) | KMT2AECE2SMN1; SMN2NPC1HPGD | |
| SCHEMBL7430480 | 0.78 | HPGD (0.67) | KMT2ASMN1; SMN2NPC1HPGDPOLB | |
| SCHEMBL17509110 | 0.78 | CA2 (0.42) | KMT2ACA2ECE2SMN1; SMN2NPC1 | |
| SCHEMBL12988833 | 0.78 | ECE2 (0.51) | KMT2AECE2SMN1; SMN2NPC1HPGD | |
| SCHEMBL5088782 | 0.78 | ECE2 (0.55) | KMT2AECE2SMN1; SMN2NPC1HPGD | |
| SCHEMBL13216174 | 0.78 | HSD11B1 (0.57) | KMT2AECE2SMN1; SMN2NPC1HPGD |
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-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 |