Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | LGMN | Q99538 | 2/20 | 0.39 |
| ▸ | ME2 | P23368 | 1/20 | 0.38 |
| ▸ | ME1 | P48163 | 1/20 | 0.38 |
| ▸ | ME3 | Q16798 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17278980 | 0.95 | CA12 (0.41) | CA12CA2CA9AKR1C3DPP4 | |
| SCHEMBL19844455 | 0.91 | DPP4 (0.43) | CA12CA2CA9AKR1C3DPP4 | |
| SCHEMBL28218874 | 0.90 | CA12 (0.51) | CA12CA2CA9AKR1C3DPP4 | |
| SCHEMBL12069818 | 0.85 | CA12 (0.47) | CA12CA2CA9AKR1C3CYP3A4 | |
| SCHEMBL17368563 | 0.85 | CA12 (0.47) | CA12CA2CA9AKR1C3CYP3A4 | |
| SCHEMBL12069726 | 0.82 | AKR1C3 (0.57) | CA12CA2CA9AKR1C3CYP3A4 | |
| SCHEMBL18409048 | 0.82 | AKR1C3 (0.57) | CA12CA2CA9AKR1C3CYP3A4 | |
| SCHEMBL19844470 | 0.82 | DPP4 (0.39) | CA12CA2CA9AKR1C3DPP4 | |
| SCHEMBL17278982 | 0.81 | MAPT (0.47) | AKR1C3MAPTALDH1A1LGMNTHRB | |
| SCHEMBL19844473 | 0.81 | DPP4 (0.39) | CA12CA2CA9AKR1C3DPP4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10731078-B2 | Composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2020-08-04 | — | — | US | disclosed |
| US-20180030354-A1 | COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2018-02-01 | — | — | US | disclosed |
| US-20180030354-A1 | COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2018-02-01 | — | — | US | disclosed |