Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 3/20 | 0.40 |
| ▸ | GABRD | O14764 | 3/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.40 |
| ▸ | GABRE | P78334 | 3/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 3/20 | 0.40 |
| ▸ | GABRQ | Q9UN88 | 3/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17731339 | 0.74 | GABRP (0.38) | CYP1A2GAAGABRPGABRDGABRA1 | |
| SCHEMBL708881 | 0.72 | GABRP (0.41) | CYP1A2GAAGABRPGABRDGABRA1 | |
| SCHEMBL27041262 | 0.70 | GABRP (0.46) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| Methoxymethane SCHEMBL29012225 | 0.70 | TSHR (0.46) | GAAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL6126 | 0.70 | GABRP (0.46) | GAAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL849131 | 0.70 | GABRP (0.41) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL39569 | 0.69 | GABRP (0.44) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Methyl Alcohol SCHEMBL15536588 | 0.68 | TSHR (0.55) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Cyclopropane Carboxylic Acid SCHEMBL21581961 | 0.68 | TSHR (0.55) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL28822241 | 0.68 | GABRP (0.40) | CYP1A2GAAGABRPGABRDGABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2513098-A1 | AMINOPYRIMIDINES AS SYK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011075515-A1 | AMINOPYRIMIDINES AS SYK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-06-23 | — | — | WO | disclosed |