Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 10/20 | 0.51 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.51 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL14033932 | 1.00 | S1PR3 (0.51) | S1PR3S1PR4S1PR2ALDH1A1TSHR | |
| SCHEMBL14033593 | 0.84 | S1PR3 (0.43) | S1PR3S1PR4S1PR2TSHRRAB9A | |
| SCHEMBL14033306 | 0.84 | S1PR3 (0.43) | S1PR3S1PR4S1PR2TSHRRAB9A | |
| SCHEMBL29279115 | 0.81 | SLC6A2 (0.53) | S1PR3S1PR4S1PR2ALDH1A1HTR2A | |
| SCHEMBL17479493 | 0.79 | S1PR3 (0.49) | S1PR3S1PR4S1PR2ALDH1A1HTR2A | |
| SCHEMBL4602819 | 0.79 | S1PR3 (0.43) | S1PR3S1PR4S1PR2MEN1KMT2A | |
| SCHEMBL14033902 | 0.78 | TRPV1 (0.39) | S1PR3S1PR4S1PR2 | |
| SCHEMBL14033813 | 0.78 | TRPV1 (0.39) | S1PR3S1PR4S1PR2 | |
| SCHEMBL5514077 | 0.78 | S1PR3 (0.48) | S1PR3S1PR4S1PR2ALDH1A1HTR2A | |
| SCHEMBL14034090 | 0.75 | NPC1 (0.36) | S1PR3S1PR4ALDH1A1RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7432268-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2008-10-07 | — | — | US | disclosed |
| US-7432268-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2008-10-07 | — | — | US | disclosed |