Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL28659994 | 0.76 | HPRT1 (0.44) | CASRMEN1KMT2AMAPTNPC1 | |
| SCHEMBL15267173 | 0.73 | PDK1 (0.46) | CASRMEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL1988215 | 0.72 | CNR1 (0.49) | UGT2B7MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL4044685 | 0.72 | PDK1 (0.40) | CASRMAPTCYP3A4CYP2D6CYP1A2 | |
| SCHEMBL17466752 | 0.72 | CNR1 (0.49) | UGT2B7MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL14276991 | 0.72 | ALDH1A1 (0.48) | MEN1KMT2AMAPTCYP3A4CYP2D6 | |
| SCHEMBL6234170 | 0.71 | PDK1 (0.44) | MEN1KMT2AMAPTCYP3A4CYP2D6 | |
| SCHEMBL833871 | 0.70 | POLB (0.48) | KMT2AMAPTCYP2C19 | |
| SCHEMBL2955736 | 0.69 | CASR (0.39) | CASRMEN1KMT2AMAPTRAPGEF3 | |
| SCHEMBL3159596 | 0.69 | HTR2A (0.53) | HTR2AHTR2CHTR2BUGT2B7CYP3A4 |
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-9663548-B2 | 10-α/β-D-arabinofuranosyl-undecenes as potential anti-mycobacterial agents and process for the preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2017-05-30 | — | — | US | disclosed |