Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 2/20 | 0.31 |
| ▸ | CCND1 | P24385 | 2/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL1028807 | 1.00 | TAAR1 (0.34) | TAAR1MPOCTSLCTSSCTSK | |
| SCHEMBL8232131 | 0.83 | CTSS (0.36) | CTSLCTSSCTSK | |
| SCHEMBL4846506 | 0.81 | TAAR1 (0.38) | TAAR1MPOCTSLCTSSCTSK | |
| SCHEMBL454446 | 0.81 | ESR1 (0.39) | TAAR1ALDH1A1TSHRGPR52CDK4 | |
| SCHEMBL30297613 | 0.81 | ESR1 (0.39) | TAAR1ALDH1A1TSHRGPR52CDK4 | |
| SCHEMBL6927858 | 0.81 | MPO (0.35) | TAAR1MPOALDH1A1TSHRSCN8A | |
| SCHEMBL67347 | 0.80 | TAAR1 (0.54) | TAAR1ALDH1A1TSHRACHECDK4 | |
| SCHEMBL26599109 | 0.78 | AKR1B1 (0.38) | TAAR1MPOALDH1A1 | |
| SCHEMBL16963763 | 0.78 | ALDH1A1 (0.46) | TAAR1ALDH1A1PKMGPR84 | |
| SCHEMBL13064220 | 0.76 | TAAR1 (0.39) | TAAR1MPOCTSLCTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |