Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 8/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL16686997 | 0.80 | ALDH1A1 (0.40) | KDM4EMEN1KMT2AALDH1A1CA12 | |
| SCHEMBL16686996 | 0.80 | ALDH1A1 (0.40) | KDM4EMEN1KMT2AALDH1A1CA12 | |
| SCHEMBL16684571 | 0.77 | PTPN1 (0.46) | CYP2A6KIF11PTPN1PTPN2KDM4E | |
| SCHEMBL17345173 | 0.74 | KIF11 (0.53) | CYP2A6KIF11KDM4EMEN1KMT2A | |
| SCHEMBL23241583 | 0.74 | TP53 (0.46) | KIF11MAOAMAOBALDH1A1CA12 | |
| SCHEMBL2883176 | 0.74 | ALDH1A1 (0.46) | CYP2A6PTPN1PTPN2KDM4EMEN1 | |
| SCHEMBL1852687 | 0.74 | PTPN1 (0.46) | CYP2A6KIF11PTPN1PTPN2KDM4E | |
| SCHEMBL16684629 | 0.74 | PTPN1 (0.46) | PTPN1MEN1KMT2AMAOAMAOB | |
| SCHEMBL472408 | 0.70 | KIF11 (0.56) | CYP2A6KIF11KDM4EAKR1C3AKR1C2 | |
| SCHEMBL18235043 | 0.70 | PTPN1 (0.47) | CYP2A6PTPN1PTPN2KDM4EMAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015066371-A1 | SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS | FORUM PHARMACEUTICALS, INC. (US) | 2015-05-07 | — | — | WO | disclosed |
| WO-2015066371-A1 | SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS | FORUM PHARMACEUTICALS, INC. (US) | 2015-05-07 | — | — | WO | disclosed |