Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 13/20 | 0.49 |
| ▸ | SLC16A1 | P53985 | 8/20 | 0.49 |
| ▸ | MCTS1 | Q9ULC4 | 7/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL10747798 | 0.84 | LTA4H (0.44) | MAPTNPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL9830073 | 0.78 | SLC16A3 (0.55) | SLC16A3SLC16A1MCTS1PPARAPPARG | |
| SCHEMBL9831115 | 0.75 | NOTUM (0.55) | SLC16A3SLC16A1MCTS1PPARAMEN1 | |
| SCHEMBL9831414 | 0.75 | SMN1; SMN2 (0.56) | SLC16A3SLC16A1MCTS1MEN1MAPT | |
| Propionic Acid SCHEMBL10435684 | 0.75 | S1PR1 (0.50) | TSHRS1PR1S1PR3LTA4HKMO | |
| SCHEMBL10711669 | 0.74 | LTA4H (0.46) | MEN1MAPTKMT2ANPC1RAB9A | |
| Clobuzarit SCHEMBL187456 | 0.74 | SLC16A3 (0.62) | SLC16A3SLC16A1MCTS1PPARAMEN1 | |
| SCHEMBL9441026 | 0.73 | TSHR (0.58) | MAPTTSHRS1PR1S1PR3KMO | |
| SCHEMBL2056285 | 0.72 | S1PR1 (0.51) | MEN1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL9833295 | 0.72 | NOTUM (0.51) | MEN1MAPTKMT2ANPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0220573-B1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | claimed |
| US-4774253-A | ETHER,-ACIDS, ESTERS OR AMIDES | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | claimed |
| EP-0220573-B1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | disclosed |
| US-4774253-A | ETHER,-ACIDS, ESTERS OR AMIDES | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | disclosed |
| EP-0220573-A1 | Heterocyclic compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1987-05-06 | — | — | EP | disclosed |