Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29375354 | 0.89 | BACE1 (0.39) | BACE1TRPV1TACR1FFAR4NTRK1 | |
| SCHEMBL26978999 | 0.89 | BACE1 (0.39) | BACE1TRPV1TACR1FFAR4NTRK1 | |
| SCHEMBL7334010 | 0.84 | EPHX2 (0.40) | — | |
| SCHEMBL23778772 | 0.79 | BACE1 (0.41) | BACE1 | |
| SCHEMBL29377447 | 0.77 | CYP1A2 (0.33) | BACE1TACR1NTRK1PDE2ARXRA | |
| SCHEMBL26978199 | 0.77 | CYP1A2 (0.33) | BACE1TACR1NTRK1PDE2ARXRA | |
| SCHEMBL30593420 | 0.76 | GAA (0.38) | — | |
| SCHEMBL2646502 | 0.76 | CYP1A2 (0.34) | BACE1PDE2A | |
| SCHEMBL26979432 | 0.76 | GAA (0.38) | — | |
| SCHEMBL29377445 | 0.75 | KCNH2 (0.33) | BACE1TACR1NTRK1RXRARXRB |
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 |
|---|---|---|---|---|---|---|---|
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |