Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10672206 | 0.80 | FAAH (0.47) | ALDH1A1TSHRMEN1KMT2AHSD17B10 | |
| Octane SCHEMBL10672069 | 0.80 | FAAH (0.47) | ALDH1A1TSHRMEN1KMT2AHSD17B10 | |
| SCHEMBL10394838 | 0.79 | HCAR2 (0.43) | ALDH1A1HCAR2NPSR1CYP1A2LMNA | |
| SCHEMBL136953 | 0.79 | HCAR2 (0.43) | ALDH1A1HCAR2NPSR1CYP1A2LMNA | |
| Octane SCHEMBL10672248 | 0.79 | FAAH (0.46) | ALDH1A1TSHRMEN1KMT2AHSD17B10 | |
| Octane SCHEMBL10666738 | 0.77 | FAAH (0.45) | ALDH1A1TSHRMEN1KMT2AHSD17B10 | |
| SCHEMBL3555076 | 0.74 | HCAR2 (0.46) | ALDH1A1HCAR2NPSR1CYP1A2MEN1 | |
| Octane SCHEMBL10669586 | 0.73 | TSHR (0.45) | ALDH1A1TSHRMEN1KMT2AHSD17B10 | |
| Octane SCHEMBL10666563 | 0.73 | FAAH (0.42) | ALDH1A1TSHRMEN1KMT2AHSD17B10 | |
| SCHEMBL2607005 | 0.72 | CYP1A2 (0.59) | ALDH1A1TSHRCYP1A2HSD17B10ALOX15 |
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-2020113209-A1 | PANTETHEINE DERIVATIVES AND USES THEREOF | COMET THERAPEUTICS, INC. (US) | 2020-06-04 | — | — | WO | disclosed |