Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.47 |
| ▸ | KCNJ1 | P48048 | 5/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL78561 | 0.84 | CA1 (0.58) | CA1CA2BCHEACHETSHR | |
| SCHEMBL8720914 | 0.80 | AKR1C3 (0.60) | CA1CA2BCHEACHETSHR | |
| SCHEMBL17754402 | 0.78 | PPARD (0.44) | TSHRALDH1A1KCNH2HRH3KDM4E | |
| SCHEMBL8093259 | 0.78 | AKR1C3 (0.61) | CA1CA2BCHEACHETSHR | |
| SCHEMBL23703545 | 0.78 | CA1 (0.51) | CA1CA2BCHEACHETSHR | |
| SCHEMBL7393069 | 0.77 | GFER (0.45) | TSHRCYP3A4SIGMAR1 | |
| SCHEMBL282093 | 0.77 | PPARD (0.47) | CA1CA2ACHETSHRALDH1A1 | |
| SCHEMBL1833048 | 0.77 | TAAR1 (0.44) | TSHRALDH1A1KDM4E | |
| SCHEMBL10912425 | 0.77 | TAAR1 (0.44) | TSHRALDH1A1KDM4ESIGMAR1 | |
| SCHEMBL26486038 | 0.77 | TAAR1 (0.44) | TSHRSIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499121-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. | F. Hoffmann-La Roche AG (CH) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011057973-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | disclosed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | disclosed |