Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 5/20 | 0.55 |
| ▸ | DHFR | P00374 | 5/20 | 0.55 |
| ▸ | GART | P22102 | 5/20 | 0.55 |
| ▸ | ATIC | P31939 | 2/20 | 0.55 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.55 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.55 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.55 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.55 |
| ▸ | FRK | P42685 | 1/20 | 0.55 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.55 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.43 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.43 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28544651 | 1.00 | TYMS (0.55) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL371409 | 0.88 | DHFR (0.57) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL27835031 | 0.88 | DHFR (0.57) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL19623246 | 0.86 | TYMS (0.56) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL1236538 | 0.86 | TYMS (0.56) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL23544600 | 0.85 | GART (0.65) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL19623252 | 0.85 | GART (0.65) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL1302274 | 0.83 | TYMS (0.79) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL1302278 | 0.83 | TYMS (0.79) | TYMSDHFRGARTATICFOLR2 | |
| SCHEMBL27798992 | 0.83 | GART (0.53) | TYMSDHFRGARTATICFOLR2 |
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-106478632-B | Novel crystal form of pemetrexed diacid and preparation method thereof | 江苏豪森药业集团有限公司 | 2020-11-27 | — | — | CN | claimed |
| CN-106478632-B | Novel crystal form of pemetrexed diacid and preparation method thereof | 江苏豪森药业集团有限公司 | 2020-11-27 | — | — | CN | disclosed |