Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28812013 | 0.98 | OPRM1 (0.56) | OPRM1TP53TRPV1TRPA1SPHK1 | |
| SCHEMBL30787116 | 0.84 | GPR84 (0.46) | TRPV1TRPA1SPHK1GPR84LMNA | |
| SCHEMBL30787291 | 0.84 | GPR84 (0.46) | TRPV1TRPA1SPHK1GPR84LMNA | |
| SCHEMBL2845646 | 0.84 | GPR84 (0.46) | TRPV1TRPA1SPHK1GPR84LMNA | |
| SCHEMBL14660129 | 0.84 | GPR84 (0.46) | TRPV1TRPA1SPHK1GPR84LMNA | |
| SCHEMBL23530055 | 0.84 | GPR84 (0.46) | TRPV1TRPA1SPHK1GPR84LMNA | |
| SCHEMBL30787428 | 0.84 | GPR84 (0.46) | TRPV1TRPA1SPHK1GPR84LMNA | |
| SCHEMBL30787307 | 0.84 | GPR84 (0.46) | TRPV1TRPA1SPHK1GPR84LMNA | |
| SCHEMBL30787207 | 0.84 | GPR84 (0.46) | TRPV1TRPA1SPHK1GPR84LMNA | |
| SCHEMBL13472086 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014197763-A1 | MOLECULAR DESIGN TOWARD DUAL-MODALITY PROBES FOR RADIOISOTOPE-BASED IMAGING (PET OR SPECT) AND MRI | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEAS SYSTEM (US) | 2014-12-11 | — | — | WO | disclosed |