Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.37 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL19873621 | 1.00 | TACR1 (0.38) | TACR1TACR2LPAR1LPAR3NAAA | |
| SCHEMBL19873564 | 0.93 | LPAR1 (0.36) | LPAR1LPAR3NAAAAKR1C3AKR1C2 | |
| SCHEMBL19873567 | 0.93 | LPAR1 (0.36) | LPAR1LPAR3NAAAAKR1C3AKR1C2 | |
| SCHEMBL19873623 | 0.93 | LPAR1 (0.44) | LPAR1LPAR3NAAAAKR1C3AKR1C2 | |
| SCHEMBL19873620 | 0.93 | LPAR1 (0.44) | LPAR1LPAR3NAAAAKR1C3AKR1C2 | |
| SCHEMBL19873572 | 0.93 | CHRM3 (0.37) | TACR1TACR2LPAR1LPAR3NAAA | |
| SCHEMBL19873574 | 0.93 | CHRM3 (0.37) | TACR1TACR2LPAR1LPAR3NAAA | |
| SCHEMBL19873599 | 0.92 | APP (0.39) | TACR1TACR2LPAR1LPAR3NAAA | |
| SCHEMBL19873597 | 0.92 | APP (0.39) | TACR1TACR2LPAR1LPAR3NAAA | |
| SCHEMBL19873665 | 0.89 | NAAA (0.41) | LPAR1LPAR3NAAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3360869-B1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. | UBE INDUSTRIES (JP) | 2020-07-29 | — | — | EP | claimed |
| EP-2940013-B1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND | UBE INDUSTRIES (JP) | 2018-02-21 | — | — | EP | claimed |