Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | HPGD | P15428 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | FABP3 | P05413 | 1/20 | 0.47 |
| ▸ | FABP4 | P15090 | 1/20 | 0.47 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6226360 | 0.87 | HTT (0.56) | HTTCA12CA1CA2CA7 | |
| SCHEMBL7287250 | 0.83 | HTT (0.51) | HTTCA12CA1CA2CA7 | |
| SCHEMBL14240305 | 0.82 | ALDH1A1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4774740 | 0.81 | PLK1 (0.50) | HPGDHSD17B10TSHRMAPTSMN1; SMN2 | |
| SCHEMBL28080814 | 0.81 | HTT (0.54) | HTTCA12CA1CA2CA7 | |
| SCHEMBL9565410 | 0.81 | ALDH1A1 (0.50) | HTTKDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL7859431 | 0.79 | HTT (0.51) | HTTCA12CA1CA2CA7 | |
| SCHEMBL27341111 | 0.79 | TSHR (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9150206 | 0.78 | HTT (0.54) | HTTCA12CA1CA2CA7 | |
| SCHEMBL4311047 | 0.78 | CA1 (0.52) | HTTCA12CA1CA2CA7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010020548-A1 | GLYT1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-25 | — | — | WO | disclosed |
| US-5859283-A | TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1999-01-12 | — | — | US | disclosed |
| US-5747424-A | HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-05-05 | — | — | US | disclosed |
| US-5656573-A | Herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-08-12 | — | — | US | disclosed |
| US-5650533-A | Intermediates to herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-07-22 | — | — | US | disclosed |