Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | GSR | P00390 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11124275 | 1.00 | TSHR (0.38) | TSHRHTR2CHTR2BKMT2ATHRB | |
| SCHEMBL8095037 | 0.78 | HTR2C (0.40) | TSHRHTR2CHTR2BKMT2ASLC6A2 | |
| SCHEMBL1683176 | 0.78 | CA12 (0.42) | TSHRCYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL20912965 | 0.78 | HTR2C (0.40) | TSHRHTR2CHTR2BKMT2ASLC6A2 | |
| SCHEMBL424239 | 0.77 | TAAR1 (0.47) | AOC3 | |
| SCHEMBL2571472 | 0.77 | KMT2A (0.38) | TSHRKMT2ATHRBGSRSLC6A2 | |
| SCHEMBL11124283 | 0.74 | KMT2A (0.40) | TSHRHTR2CHTR2BKMT2AGSR | |
| SCHEMBL8489804 | 0.74 | CCR5 (0.41) | TSHRKMT2ACYP1A2CYP2D6MEN1 | |
| SCHEMBL7265354 | 0.74 | KMT2A (0.42) | TSHRKMT2ATHRBGSRSLC6A2 | |
| SCHEMBL6343043 | 0.73 | SLC6A4 (0.41) | TSHRKMT2ATHRBGSRSLC6A2 |
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-1983003097-A1 | 1,4-DIHYDROPYRIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMAC EUTICAL PREPARATIONS CONTAINING THEM | SANDOZ AG (CH) | 1983-09-15 | — | — | WO | disclosed |