Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL516416 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL516467 | 0.80 | OPRM1 (0.42) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL2874917 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL27686332 | 0.80 | OPRM1 (0.44) | OPRM1CYP2D6LMNACYP3A4SPHK1 | |
| SCHEMBL3311818 | 0.79 | OPRM1 (0.42) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL516457 | 0.79 | OPRM1 (0.48) | ALDH1A1TDP1OPRM1METAP1CYP2D6 | |
| SCHEMBL12561277 | 0.77 | OPRM1 (0.36) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL8293096 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL3308108 | 0.76 | OPRM1 (0.39) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL13945473 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TDP1OPRM1CA2CA1 |
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-100543026-C | Ion liquid extraction penicillin and enzymic catalytic reaction coupling prepare the method for semisynthetic antibiotic 6-amino penicillanic acid | INST PROCESS ENG CAS (CN) | 2009-09-23 | — | — | CN | claimed |
| CN-1948316-A | Method of preparing semisynthetic antibiotic 6-amino penicillanic acid by ion liquid extraction penicillin and enzymic catalytic reaction coupling | INST PROCESS ENG CAS (CN) | 2007-04-18 | — | — | CN | claimed |
| CN-100543026-C | Ion liquid extraction penicillin and enzymic catalytic reaction coupling prepare the method for semisynthetic antibiotic 6-amino penicillanic acid | INST PROCESS ENG CAS (CN) | 2009-09-23 | — | — | CN | disclosed |
| CN-1948316-A | Method of preparing semisynthetic antibiotic 6-amino penicillanic acid by ion liquid extraction penicillin and enzymic catalytic reaction coupling | INST PROCESS ENG CAS (CN) | 2007-04-18 | — | — | CN | disclosed |