Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1008664 | 0.81 | RORC (0.52) | L3MBTL1MAOBALDH1A1LMNA | |
| SCHEMBL1010435 | 0.80 | ATR (0.46) | MAOBALDH1A1 | |
| SCHEMBL14064670 | 0.79 | L3MBTL1 (0.55) | L3MBTL1HTTALDH1A1GAANPSR1 | |
| SCHEMBL6386383 | 0.79 | MAOB (0.49) | KDRMAOBHTTALDH1A1NPSR1 | |
| SCHEMBL9402610 | 0.75 | GAA (0.59) | L3MBTL1HTTALDH1A1GAANPSR1 | |
| SCHEMBL30317019 | 0.75 | L3MBTL1 (0.60) | L3MBTL1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL9148 | 0.75 | L3MBTL1 (0.60) | L3MBTL1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL22221573 | 0.74 | CYP1A2 (0.58) | CNR1ALDH1A1GAANPSR1MAPT | |
| SCHEMBL334142 | 0.74 | L3MBTL1 (0.64) | L3MBTL1KDRHTTGAANPSR1 | |
| SCHEMBL11542357 | 0.73 | MAOB (0.42) | KDRMAOBNPY2RNPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922415-A | Novel bicyclic compounds as dual ATX/CA inhibitors | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | claimed |
| CN-107922412-A | Bicyclic compound as ATX inhibitor | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | claimed |
| CN-107922415-A | Novel bicyclic compounds as dual ATX/CA inhibitors | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107922412-A | Bicyclic compound as ATX inhibitor | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | disclosed |