Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11182589 | 1.00 | S1PR1 (0.39) | S1PR1SGPL1GAAMAPTCYP3A4 | |
| SCHEMBL11175058 | 1.00 | S1PR1 (0.39) | S1PR1SGPL1GAAMAPTCYP3A4 | |
| SCHEMBL11182922 | 1.00 | S1PR1 (0.39) | S1PR1SGPL1GAAMAPTCYP3A4 | |
| SCHEMBL11194214 | 1.00 | S1PR1 (0.39) | S1PR1SGPL1GAAMAPTCYP3A4 | |
| SCHEMBL11181563 | 0.99 | SGPL1 (0.37) | S1PR1SGPL1GAAMAPTCYP3A4 | |
| SCHEMBL11185266 | 0.95 | NPC1 (0.34) | S1PR1SGPL1GAACYP3A4CYP2C8 | |
| SCHEMBL11177390 | 0.92 | TNKS2 (0.36) | RAB9ASMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL11184737 | 0.90 | SGPL1 (0.39) | S1PR1SGPL1GAAMAPTCYP3A4 | |
| SCHEMBL11177552 | 0.90 | SGPL1 (0.39) | S1PR1SGPL1GAAMAPTCYP3A4 | |
| SCHEMBL11186541 | 0.90 | SGPL1 (0.39) | S1PR1SGPL1GAAMAPTCYP3A4 |
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-4402849-A | DIELECTRICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-09-06 | — | — | US | disclosed |
| EP-0031021-B1 | TETRAHYDROQUINAZOLINES, PROCESS FOR THEIR PREPARATION, LIQUID CRYSTALLINE DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL DISPLAY ELEMENT | MERCK PATENT GmbH (DE) | 1983-05-18 | — | — | EP | disclosed |
| EP-0031021-A1 | Tetrahydroquinazolines, process for their preparation, liquid crystalline dielectrics containing them and electro-optical display element | MERCK PATENT GmbH (DE) | 1981-07-01 | — | — | EP | disclosed |