Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL88662 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL27502087 | 0.85 | GABRA1 (0.46) | GABRA1GABRB2TSHRMAPTNPSR1 | |
| Fluoride SCHEMBL27930947 | 0.85 | GABRA1 (0.46) | GABRA1GABRB2TSHRMAPTNPSR1 | |
| SCHEMBL67969 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL28959607 | 0.80 | TSHR (0.53) | TAAR1TSHRACHEMAPTALDH1A1 | |
| O-Xylene SCHEMBL28187928 | 0.78 | TSHR (0.59) | PTGS2TAAR1GABRA1GABRB2TSHR | |
| SCHEMBL5489439 | 0.78 | TAAR1 (0.54) | PTGS2TAAR1GABRA1GABRB2TSHR | |
| SCHEMBL29458957 | 0.78 | — | — | |
| SCHEMBL40576 | 0.78 | — | — | |
| SCHEMBL28021316 | 0.76 | GABRA1 (0.38) | GABRA1GABRB2TSHRMAPTNPSR1 |
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-5047569-A | POLYMERIZING MONOMERIC OR PRECURSOR IN PRESENCE OF A DIPHOSPHOROUS NICKEL CHLORIDE CATALYSST | ETHYL CORPORATION (US) | 1991-09-10 | — | — | US | disclosed |