Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 6/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1407014 | 1.00 | CA1 (0.39) | CA1CA2CA4KMT2AALDH1A1 | |
| SCHEMBL8578128 | 0.95 | MAOA (0.34) | CA1CA2CA4KMT2AALDH1A1 | |
| SCHEMBL30726654 | 0.87 | STAT3 (0.32) | — | |
| SCHEMBL3438152 | 0.81 | CA1 (0.45) | CA1CA2CA4KMT2AALDH1A1 | |
| SCHEMBL9285252 | 0.79 | STAT3 (0.31) | — | |
| SCHEMBL30459802 | 0.77 | STAT3 (0.32) | — | |
| SCHEMBL15032471 | 0.76 | PPM1D (0.30) | — | |
| SCHEMBL6396660 | 0.75 | TRIM24 (0.36) | CA1CA2CA4KMT2AALDH1A1 | |
| SCHEMBL15032472 | 0.75 | TLR4 (0.36) | — | |
| SCHEMBL9621403 | 0.74 | FKBP1A (0.32) | POLB |
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-2018366-A1 | HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES | McGILL UNIVERSITY (CA) | 2009-01-28 | — | — | EP | disclosed |
| WO-2007131364-A1 | HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES | MCGILL UNIVERSITY (CA) | 2007-11-22 | — | — | WO | disclosed |