Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27416812 | 1.00 | TAAR1 (0.52) | TAAR1SIGMAR1KDM4EHTR2AHRH1 | |
| Ethoxycarbonyl Group SCHEMBL27845601 | 0.83 | SMN1; SMN2 (0.45) | TAAR1SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL4785593 | 0.83 | TSHR (0.52) | KDM4ETSHRALDH1A1POLB | |
| SCHEMBL13060868 | 0.81 | TAAR1 (0.48) | TAAR1SIGMAR1KDM4EHTR2AHRH1 | |
| SCHEMBL13006514 | 0.81 | TAAR1 (0.48) | TAAR1SIGMAR1KDM4EHTR2AHRH1 | |
| Bromide SCHEMBL11132525 | 0.80 | TAAR1 (0.52) | TAAR1SIGMAR1KDM4EHTR2AHRH1 | |
| SCHEMBL14292431 | 0.79 | SIGMAR1 (0.53) | TAAR1SIGMAR1HTR2AHRH1TDP1 | |
| SCHEMBL555264 | 0.79 | SIGMAR1 (0.53) | TAAR1SIGMAR1HTR2AHRH1TDP1 | |
| SCHEMBL172954 | 0.78 | TAAR1 (0.50) | TAAR1SIGMAR1KDM4EHTR2AHRH1 | |
| SCHEMBL171478 | 0.78 | TAAR1 (0.50) | TAAR1SIGMAR1KDM4EHTR2AHRH1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1768966-B1 | COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY DISCOVERY INC (US) | 2012-03-07 | — | — | EP | disclosed |