Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 8/20 | 0.44 |
| ▸ | CTSB | P07858 | 8/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27660161 | 0.86 | L3MBTL1 (0.47) | ALDH1A1KMT2AHPGD | |
| SCHEMBL27660159 | 0.86 | L3MBTL1 (0.47) | ALDH1A1KMT2AHPGD | |
| SCHEMBL8143561 | 0.86 | L3MBTL1 (0.47) | ALDH1A1KMT2AHPGD | |
| SCHEMBL8143558 | 0.86 | L3MBTL1 (0.47) | ALDH1A1KMT2AHPGD | |
| SCHEMBL27639462 | 0.84 | TAS1R3 (0.46) | CTSLCTSBALDH1A1MAPTCA1 | |
| SCHEMBL27639464 | 0.84 | TAS1R3 (0.46) | CTSLCTSBALDH1A1MAPTCA1 | |
| SCHEMBL28138300 | 0.81 | ACE (0.61) | CTSLACEALDH1A1TACR1MEN1 | |
| SCHEMBL28138297 | 0.81 | ACE (0.61) | CTSLACEALDH1A1TACR1MEN1 | |
| SCHEMBL7848147 | 0.80 | L3MBTL1 (0.46) | ALDH1A1KMT2AHPGD | |
| SCHEMBL7848146 | 0.80 | L3MBTL1 (0.46) | ALDH1A1KMT2AHPGD |
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 |