Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | STAT3 | P40763 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3833448 | 1.00 | CA12 (0.36) | CA12CA2CA9ALDH1A1STAT3 | |
| SCHEMBL3116629 | 1.00 | CA12 (0.36) | CA12CA2CA9ALDH1A1STAT3 | |
| SCHEMBL7213256 | 1.00 | CA12 (0.36) | CA12CA2CA9ALDH1A1STAT3 | |
| SCHEMBL3122917 | 0.94 | PLA2G2C (0.34) | CA12CA2CA9ALDH1A1STAT3 | |
| SCHEMBL3123597 | 0.93 | PLA2G2C (0.36) | CA12CA2CA9ALDH1A1STAT3 | |
| SCHEMBL3118259 | 0.93 | PLA2G2C (0.36) | CA12CA2CA9ALDH1A1STAT3 | |
| SCHEMBL27486951 | 0.93 | PLA2G2C (0.36) | CA12CA2CA9ALDH1A1STAT3 | |
| SCHEMBL4374409 | 0.91 | KMT2A (0.35) | CA2ALDH1A1STAT3MEN1KMT2A | |
| SCHEMBL3831947 | 0.91 | KMT2A (0.35) | CA2ALDH1A1STAT3MEN1KMT2A | |
| SCHEMBL3116664 | 0.91 | KMT2A (0.35) | CA2ALDH1A1STAT3MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2172197-A1 | Octanoic acid derivative to treat fibromyalgia and other pains | Warner-Lambert Company LLC (US) | 2010-04-07 | — | — | EP | disclosed |