Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 3/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL31111607 | 0.78 | CA12 (0.41) | CA12CA1CA2CA9PSIP1 | |
| SCHEMBL27540936 | 0.78 | PSIP1 (0.40) | CA12CA1CA2CA9PSIP1 | |
| Hydrochloric Acid SCHEMBL31111474 | 0.77 | CA12 (0.40) | CA12CA1CA2CA9PSIP1 | |
| SCHEMBL3884592 | 0.75 | PSIP1 (0.40) | CA12CA1CA2CA9PSIP1 | |
| SCHEMBL779565 | 0.73 | CA12 (0.43) | CA12CA1CA2CA9PSIP1 | |
| SCHEMBL3883384 | 0.72 | CYP3A4 (0.40) | CA12CA1CA2CA9PSIP1 | |
| SCHEMBL781961 | 0.70 | TSHR (0.40) | PSIP1CYP3A4L3MBTL1MC4RKCNQ2 | |
| SCHEMBL15431689 | 0.69 | PSIP1 (0.38) | CA12CA1CA2CA9PSIP1 | |
| SCHEMBL7984628 | 0.69 | IDO1 (0.40) | CA12CA1CA2CA9PSIP1 | |
| SCHEMBL15431686 | 0.69 | PSIP1 (0.38) | CA12CA1CA2CA9PSIP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5055622-A | For treating neoplasms and dermatoses | HOFFMANN-LA ROCHE INC. (US) | 1991-10-08 | — | — | US | disclosed |
| US-5030765-A | Skin disorders, anititumor agents | HOFFMANN-LA ROCHE INC. (US) | 1991-07-09 | — | — | US | disclosed |
| US-5030764-A | Antitumor agents; treatment of skin disorders | HOFFMANN-LA ROCHE INC. (US) | 1991-07-09 | — | — | US | disclosed |
| US-5001276-A | Novel tetrahydronaphthalene and indane derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-03-19 | — | — | US | disclosed |
| US-4990703-A | Novel tetrahydronaphthalene and indane derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-02-05 | — | — | US | disclosed |
| US-4935560-A | ANTITUMOR AGENTS; SKIN DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1990-06-19 | — | — | US | disclosed |
| US-4870219-A | NEOPLASMS, DERMATOSES | HOFFMANN-LA ROCHE INC. (US) | 1989-09-26 | — | — | US | disclosed |