Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3258673 | 0.93 | GABRA1 (0.48) | SHBGTAAR1GABRA1GABRB2PTGS2 | |
| SCHEMBL169506 | 0.93 | GABRA1 (0.48) | SHBGTAAR1GABRA1GABRB2PTGS2 | |
| Ammonia Solution, Strong SCHEMBL7055042 | 0.91 | GABRA1 (0.46) | SHBGTAAR1GABRA1GABRB2PTGS2 | |
| Methylamine SCHEMBL27931104 | 0.91 | GABRA1 (0.46) | SHBGTAAR1GABRA1GABRB2PTGS2 | |
| Ammonia Solution, Strong SCHEMBL150658 | 0.91 | GABRA1 (0.46) | SHBGTAAR1GABRA1GABRB2PTGS2 | |
| Diethylamine SCHEMBL6284503 | 0.88 | CYP1A2 (0.40) | SHBGTAAR1GABRA1GABRB2PTGS2 | |
| SCHEMBL40576 | 0.86 | — | — | |
| SCHEMBL5489439 | 0.86 | TAAR1 (0.54) | SHBGTAAR1GABRA1GABRB2PTGS2 | |
| SCHEMBL29458957 | 0.86 | — | — | |
| SCHEMBL3468883 | 0.85 | TAAR1 (0.42) | SHBGTAAR1GABRA1GABRB2PTGS2 |
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-5177286-A | Selective production of a p-alkyltoluene or 4,4'-alkylmethylbiphenyl | AMOCO CORPORATION (US) | 1993-01-05 | — | — | US | disclosed |