Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.47 |
| ▸ | GABRP | O00591 | 1/20 | 0.47 |
| ▸ | GABRD | O14764 | 1/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.47 |
| ▸ | GABRE | P78334 | 1/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.47 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.47 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.47 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11731287 | 0.87 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27814192 | 0.85 | ALDH1A1 (0.59) | KMT2AHPGDMEN1ALDH1A1RAB9A | |
| SCHEMBL27793051 | 0.82 | MAPT (0.56) | KMT2AHPGDMEN1ALDH1A1RAB9A | |
| SCHEMBL20249712 | 0.79 | HSD17B10 (0.47) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL204357 | 0.78 | S100A4 (0.61) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27814203 | 0.77 | S100A4 (0.47) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28573351 | 0.76 | GABRA1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| Hydrogen Sulfide SCHEMBL10764626 | 0.76 | S100A4 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL100456 | 0.76 | ALDH1A1 (0.61) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29430733 | 0.76 | ALDH1A1 (0.61) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101817774-B | Method for preparing 2-(2-nitrophenyl) pyrrole and 2,5-bis(2-nitrophenyl) pyrrole compounds | YUEFEI HU | 2012-03-21 | — | — | CN | disclosed |
| CN-101817774-A | Method for preparing 2-(2-nitrophenyl) pyrrole and 2,5-bis(2-nitrophenyl) pyrrole compounds | YUEFEI HU | 2010-09-01 | — | — | CN | disclosed |