Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 11/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 9/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11569696 | 0.90 | S1PR1 (0.44) | S1PR2S1PR1S1PR3ATG4BPLA2G1B | |
| SCHEMBL11571147 | 0.88 | CTSK (0.42) | S1PR2S1PR1ALDH1A1 | |
| SCHEMBL11570912 | 0.88 | CTSK (0.42) | S1PR2S1PR1ALDH1A1 | |
| SCHEMBL1833893 | 0.87 | ALDH1A1 (0.47) | S1PR2S1PR1S1PR3ALDH1A1CYP1A2 | |
| SCHEMBL1837681 | 0.87 | ALDH1A1 (0.47) | S1PR2S1PR1S1PR3ALDH1A1CYP1A2 | |
| SCHEMBL1840052 | 0.87 | ALDH1A1 (0.47) | S1PR2S1PR1S1PR3ALDH1A1CYP1A2 | |
| SCHEMBL11571422 | 0.86 | CTSK (0.43) | ALDH1A1 | |
| SCHEMBL1840464 | 0.86 | CNR2 (0.48) | S1PR2S1PR1S1PR3ALDH1A1CYP1A2 | |
| SCHEMBL1835006 | 0.82 | S1PR2 (0.49) | S1PR2S1PR1S1PR3ALDH1A1ATG4B | |
| SCHEMBL1835716 | 0.82 | S1PR2 (0.49) | S1PR2S1PR1S1PR3ALDH1A1ATG4B |
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-4022814-A | Iodine containing organic carbonates for use as radiographic agents | LAFAYETTE PHARMACAL, INC. (US) | 1977-05-10 | — | — | US | claimed |
| US-4175544-A | X-RAYS OF BODY FOR MEDICAL DIAGNOSIS | Lafayette Pharmacal Inc. (US) | 1979-11-27 | — | — | US | disclosed |
| US-4022814-A | Iodine containing organic carbonates for use as radiographic agents | LAFAYETTE PHARMACAL, INC. (US) | 1977-05-10 | — | — | US | disclosed |