Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | NAAA | Q02083 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.35 |
| ▸ | PPARD | Q03181 | 3/20 | 0.35 |
| ▸ | PPARA | Q07869 | 3/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11209622 | 1.00 | TSHR (0.38) | TSHRALDH1A1TP53TRPV1CNR1 | |
| SCHEMBL11209160 | 0.94 | ABL1 (0.37) | ALDH1A1TP53CES2CES1MEN1 | |
| SCHEMBL11209157 | 0.94 | ABL1 (0.37) | ALDH1A1TP53CES2CES1MEN1 | |
| SCHEMBL11067501 | 0.85 | CYP1A2 (0.44) | TP53TRPV1MEN1KMT2AHTT | |
| SCHEMBL11067506 | 0.85 | CYP1A2 (0.44) | TP53TRPV1MEN1KMT2AHTT | |
| SCHEMBL11028786 | 0.82 | TLR4 (0.40) | TSHRALDH1A1TP53TRPV1CNR1 | |
| SCHEMBL11033011 | 0.82 | MEN1 (0.43) | TSHRALDH1A1TP53TRPV1CNR1 | |
| SCHEMBL13891946 | 0.82 | CES2 (0.41) | TSHRALDH1A1NAAACES2CES1 | |
| SCHEMBL11213288 | 0.82 | TLR4 (0.33) | — | |
| SCHEMBL11213289 | 0.82 | TLR4 (0.33) | — |
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-4391731-A | Hydrogenated naphthalenes | HOFFMANN-LA ROCHE INC. (US) | 1983-07-05 | — | — | US | disclosed |