Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | CA9 | Q16790 | 4/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | PLG | P00747 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | MITF | O75030 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3002929 | 0.83 | CA12 (0.65) | CA1CA2CA9CA12CA7 | |
| SCHEMBL29363032 | 0.81 | PBRM1 (0.87) | PBRM1CA1CA2CA9CA12 | |
| SCHEMBL5091376 | 0.81 | PBRM1 (0.65) | PBRM1CA1CA2CA9CA12 | |
| SCHEMBL9282073 | 0.81 | PBRM1 (0.87) | PBRM1CA1CA2CA9CA12 | |
| SCHEMBL125621 | 0.81 | PBRM1 (0.87) | PBRM1CA1CA2CA9CA12 | |
| 3-Aminobenzoic Acid SCHEMBL8003706 | 0.79 | PBRM1 (0.69) | PBRM1CA1CA2CA9CA12 | |
| 3-Aminobenzoic Acid SCHEMBL27648 | 0.79 | PBRM1 (0.69) | PBRM1CA1CA2CA9CA12 | |
| SCHEMBL9101086 | 0.79 | PBRM1 (0.83) | PBRM1CA1CA2CA9CA12 | |
| Hydrochloric Acid SCHEMBL8643223 | 0.79 | PBRM1 (0.83) | PBRM1CA1CA2CA9CA12 | |
| 3-Aminobenzoic Acid SCHEMBL29367812 | 0.79 | PBRM1 (0.69) | PBRM1CA1CA2CA9CA12 |
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-2175019-A2 | Quasirandom structure and function guided synthesis methods | Nuevolution A/S (DK) | 2010-04-14 | — | — | EP | disclosed |
| US-4322214-A | USING A SULFUR OR SULFURIZED VAT DYE IN AN ALKALINE BATH CONTAINING A MERCAPTO COMPOUND AND A SULFITE SALT; LEVELING | ASAHI CHEMICAL COMPANY LIMITED (JP) | 1982-03-30 | — | — | US | disclosed |