Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | RELA | Q04206 | 4/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | F13A1 | P00488 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL9239450 | 1.00 | TSHR (0.46) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL9106221 | 1.00 | TSHR (0.46) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL9240291 | 1.00 | TSHR (0.46) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL8405316 | 0.86 | CYP2C19 (0.56) | TSHRALDH1A1CYP2C19CYP1A2RELA | |
| SCHEMBL8406010 | 0.86 | CYP2C19 (0.56) | TSHRALDH1A1CYP2C19CYP1A2RELA | |
| SCHEMBL9239015 | 0.86 | CYP2C19 (0.56) | TSHRALDH1A1CYP2C19CYP1A2RELA | |
| SCHEMBL9238051 | 0.86 | CYP2C19 (0.56) | TSHRALDH1A1CYP2C19CYP1A2RELA | |
| SCHEMBL6722894 | 0.80 | ALDH1A1 (0.56) | TSHRALDH1A1CYP2C19CYP1A2RELA | |
| SCHEMBL19878669 | 0.80 | TSHR (0.44) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL19878661 | 0.80 | TSHR (0.44) | TSHRALDH1A1PAOXCYP2C19CYP1A2 |
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-1995009832-A1 | NOVEL PROCESS FOR PREPARING POLYAMINE DERIVATIVES AND INTERMEDIATES THEREOF | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-04-13 | — | — | WO | disclosed |