Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPY2R | P49146 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | IDH2 | P48735 | 2/20 | 0.33 |
| ▸ | UBE2M | P61081 | 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 | |
|---|---|---|---|---|
| SCHEMBL16250002 | 0.90 | KMT2A (0.37) | CA2CA9KDM4EALDH1A1KDM4C | |
| SCHEMBL19862439 | 0.85 | KMT2A (0.41) | CA2CA9KDM4EALDH1A1KDM4C | |
| SCHEMBL19365538 | 0.85 | KMT2A (0.38) | CA2CA9KDM4EALDH1A1KDM4C | |
| SCHEMBL16250003 | 0.84 | CA2 (0.42) | CA2CA9KDM4EALDH1A1KDM4C | |
| Hydrochloric Acid SCHEMBL16238420 | 0.84 | CA2 (0.42) | CA2CA9KDM4EALDH1A1KDM4C | |
| SCHEMBL16785514 | 0.84 | KMT2A (0.37) | CA2CA9KDM4EALDH1A1KMT2A | |
| SCHEMBL17618888 | 0.83 | NAMPT (0.42) | CA2CA9KMT2ATSHRNPY2R | |
| SCHEMBL19670419 | 0.83 | KMT2A (0.38) | CA2CA9ALDH1A1KMT2AMEN1 | |
| SCHEMBL17618348 | 0.82 | IDH2 (0.45) | CA2CA9ALDH1A1KMT2AMEN1 | |
| SCHEMBL17618817 | 0.82 | CA2 (0.41) | CA2CA9ALDH1A1KMT2AMEN1 |
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-2997029-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | Glaxosmithkline LLC (US) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014186313-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2014-11-20 | — | — | WO | disclosed |