Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL939425 | 0.84 | ALDH1A1 (0.54) | LOXL2CXCR4ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL1429999 | 0.78 | HRH3 (0.49) | ALDH1A1KDM4EMEN1KMT2ACYP3A4 | |
| SCHEMBL28280923 | 0.75 | LOXL2 (0.53) | LOXL2CXCR4ALDH1A1KDM4EGAA | |
| SCHEMBL3334754 | 0.74 | HRH3 (0.48) | ALDH1A1HTTKDM4EHRH3 | |
| SCHEMBL7832524 | 0.73 | ALDH1A1 (0.57) | ALDH1A1HTTSMN1; SMN2KDM4EGAA | |
| SCHEMBL6979875 | 0.73 | ALDH1A1 (0.57) | ALDH1A1HTTSMN1; SMN2KDM4EGAA | |
| SCHEMBL1808667 | 0.71 | SIGMAR1 (0.57) | ALDH1A1KDM4ECYP3A4HRH3POLB | |
| SCHEMBL10696872 | 0.69 | ALDH1A1 (0.63) | CXCR4ALDH1A1SMN1; SMN2KDM4EGAA | |
| SCHEMBL10701011 | 0.68 | ALDH1A1 (0.51) | CXCR4ALDH1A1HTTSMN1; SMN2KDM4E | |
| SCHEMBL10698243 | 0.68 | ALDH1A1 (0.53) | CXCR4ALDH1A1KDM4EMEN1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1611499-A | Heterocyclic compounds as inhibitors of rotamase enzymes | PFIZER (US) | 2005-05-04 | — | — | CN | disclosed |
| CN-1174978-C | Heterocyclic compounds useful as rotamase inhibitors | — | 2004-11-10 | — | — | CN | disclosed |
| CN-1511837-A | Intermediate for heterocyclic compound in preparing rotamase inhibitor | — | 2004-07-14 | — | — | CN | disclosed |
| US-6562964-B1 | Inhibitors of rotamase enzymes in particular FKBP-12 and FKBP-52. The compounds therefore moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases or other disorders | PFIZER INC | 2003-05-13 | — | — | US | disclosed |
| EP-1100797-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER LTD (GB) | 2003-02-26 | — | — | EP | disclosed |
| US-6372736-B1 | ENZYME INHIBITORS | PFIZER INC | 2002-04-16 | — | — | US | disclosed |
| CN-1310718-A | Heterocyclic compounds useful as rotamase inhibitors | PFIZER LTD (US) | 2001-08-29 | — | — | CN | disclosed |