Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | GABRP | O00591 | 2/20 | 0.43 |
| ▸ | GABRD | O14764 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.43 |
| ▸ | GABRE | P78334 | 2/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Tuaminoheptane SCHEMBL23174984 | 0.94 | OPRM1 (0.61) | OPRM1TP53SLC1A2SLC1A1FAAH | |
| Trifluoroacetic Acid SCHEMBL22230485 | 0.92 | OPRM1 (0.59) | OPRM1TP53FAAHS1PR1S1PR3 | |
| Trifluoroacetic Acid SCHEMBL29226071 | 0.92 | OPRM1 (0.59) | OPRM1TP53FAAHS1PR1S1PR3 | |
| Trifluoroacetic Acid SCHEMBL29386325 | 0.88 | GABRP (0.46) | OPRM1TP53GABRPGABRDGABRA1 | |
| Bicarbonate SCHEMBL6548682 | 0.85 | OPRM1 (0.64) | OPRM1TP53GABRPGABRDGABRA1 | |
| Oxalic Acid SCHEMBL28713733 | 0.83 | OPRM1 (0.61) | OPRM1TP53GABRPGABRDGABRA1 | |
| Oxalic Acid SCHEMBL28713732 | 0.83 | OPRM1 (0.61) | OPRM1TP53GABRPGABRDGABRA1 | |
| Acetic Acid SCHEMBL5571311 | 0.83 | OPRM1 (0.61) | OPRM1TP53GABRPGABRDGABRA1 | |
| Trifluoroacetic Acid SCHEMBL28028105 | 0.81 | CA2 (0.46) | SLC1A3SLC1A2SLC1A1SLC15A1CA2 | |
| Trifluoroacetic Acid SCHEMBL27892177 | 0.81 | CA1 (0.46) | SLC1A3SLC1A2SLC1A1CA2FAAH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111971287-B | Macrocyclic compounds as TRK kinase inhibitors | 重庆复尚源创医药技术有限公司 | 2023-06-02 | — | — | CN | disclosed |
| CN-103635456-B | Tigecycline derivatives | KBP BIOSCIENCES Co.,Ltd. (CN) | 2016-03-09 | — | — | CN | disclosed |
| CN-103717571-B | The tetracycline compound that 9-amino methyl replaces | KBP BIOSCIENCES Co.,Ltd. (CN) | 2016-01-13 | — | — | CN | disclosed |