Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27639464 | 1.00 | TAS1R3 (0.46) | TAS1R3TAS1R1L3MBTL1CA1CA2 | |
| SCHEMBL8143558 | 0.88 | L3MBTL1 (0.47) | TAS1R3TAS1R1L3MBTL1ALDH1A1 | |
| SCHEMBL27660161 | 0.88 | L3MBTL1 (0.47) | TAS1R3TAS1R1L3MBTL1ALDH1A1 | |
| SCHEMBL27660159 | 0.88 | L3MBTL1 (0.47) | TAS1R3TAS1R1L3MBTL1ALDH1A1 | |
| SCHEMBL8143561 | 0.88 | L3MBTL1 (0.47) | TAS1R3TAS1R1L3MBTL1ALDH1A1 | |
| SCHEMBL27639466 | 0.84 | CTSL (0.44) | CA1CA2MAPTALDH1A1CTSL | |
| SCHEMBL7848147 | 0.82 | L3MBTL1 (0.46) | TAS1R3TAS1R1L3MBTL1ALDH1A1 | |
| SCHEMBL7848146 | 0.82 | L3MBTL1 (0.46) | TAS1R3TAS1R1L3MBTL1ALDH1A1 | |
| SCHEMBL27905011 | 0.80 | TAS1R3 (0.50) | TAS1R3TAS1R1L3MBTL1CA1CA2 | |
| SCHEMBL27725302 | 0.80 | TAS1R3 (0.50) | TAS1R3TAS1R1L3MBTL1CA1CA2 |
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-100379729-C | Nitro compounds and their application in preparation of pemetrexed | HAINAN TIANYUAN KANGZE PHARMAC (CN) | 2008-04-09 | — | — | CN | disclosed |
| CN-1827604-A | Nitro compounds and their application in preparation of pemetrexed | HENAN TIANYUAN KANGZE PHARMACE (CN) | 2006-09-06 | — | — | CN | disclosed |