Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | NPFFR2 | Q9Y5X5 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2792136 | 0.72 | SLC6A3 (0.53) | SLC6A2SLC6A4SLC6A3ALDH1A1LMNA | |
| SCHEMBL21296577 | 0.70 | TNF (0.47) | SLC6A2SLC6A4SLC6A3KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL4378356 | 0.68 | TNF (0.46) | SLC6A2SLC6A4SLC6A3KMT2AALDH1A1 | |
| SCHEMBL23716186 | 0.68 | IDO1 (0.41) | NPFFR2KMT2ALMNAIDO1PNMT | |
| SCHEMBL19554951 | 0.66 | HSD17B10 (0.56) | SLC6A2SLC6A4KMT2AALDH1A1LMNA | |
| SCHEMBL19554953 | 0.66 | HSD17B10 (0.56) | SLC6A2SLC6A4KMT2AALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL4371318 | 0.65 | HSD17B10 (0.55) | SLC6A2SLC6A4KMT2AALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL26921798 | 0.65 | HSD17B10 (0.55) | SLC6A2SLC6A4KMT2AALDH1A1LMNA | |
| SCHEMBL6988620 | 0.65 | SLC6A3 (0.56) | SLC6A2SLC6A4SLC6A3ALDH1A1LMNA | |
| SCHEMBL3181409 | 0.65 | ADRB2 (0.56) | SLC6A2SLC6A4SLC6A3ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3209732-B1 | SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS | SCRIPPS RESEARCH INST (US) | 2021-08-04 | — | — | EP | disclosed |