Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.35 |
| ▸ | GABRP | O00591 | 2/20 | 0.35 |
| ▸ | GABRD | O14764 | 2/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRE | P78334 | 2/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL3977498 | 0.78 | GABRP (0.36) | GABRA5GABRB2GABRA1GABRA4GABRP | |
| SCHEMBL11524651 | 0.78 | GABRR1 (0.40) | CYP1A2AKR1B1GABRA5GABRB2GABRA1 | |
| SCHEMBL17611676 | 0.78 | AKR1B1 (0.42) | CYP1A2AKR1B1GABRA5GABRB2GABRA1 | |
| SCHEMBL25409861 | 0.76 | GABRR1 (0.39) | CYP1A2AKR1B1GABRA5GABRB2GABRA1 | |
| SCHEMBL28799384 | 0.76 | AKR1B1 (0.36) | CYP1A2AKR1B1GABRA5GABRB2GABRA1 | |
| SCHEMBL1018503 | 0.76 | KDM4E (0.46) | CYP1A2AKR1B1GABRA5GABRB2GABRA1 | |
| Hydrochloric Acid SCHEMBL480016 | 0.75 | KMT2A (0.46) | HSD17B10ALDH1A1TDP1LMNAKMT2A | |
| SCHEMBL1010195 | 0.74 | — | — | |
| SCHEMBL27787853 | 0.73 | PTGS2 (0.36) | CYP1A2AKR1B1GABRA5GABRB2GABRA1 | |
| SCHEMBL28363069 | 0.73 | GABRR1 (0.37) | CYP1A2AKR1B1GABRA5GABRB2GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105579447-A | Ethynyl derivatives | HOFFMANN LA ROCHE | 2016-05-11 | — | — | CN | disclosed |
| EP-1987003-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093542-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-23 | — | — | WO | disclosed |