Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 4/20 | 0.38 |
| ▸ | IKBKB | O14920 | 3/20 | 0.38 |
| ▸ | ACACB | O00763 | 6/20 | 0.37 |
| ▸ | RARB | P10826 | 3/20 | 0.36 |
| ▸ | RARG | P13631 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.35 |
| ▸ | GOT1 | P17174 | 1/20 | 0.35 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8616383 | 0.88 | S1PR1 (0.41) | S1PR1RARAIKBKBACACBRARB | |
| SCHEMBL8574167 | 0.88 | RARA (0.36) | S1PR1RARAIKBKBRARBRARG | |
| SCHEMBL8615258 | 0.87 | S1PR1 (0.39) | S1PR1RARAIKBKBACACBRARB | |
| SCHEMBL8616853 | 0.87 | RARA (0.38) | S1PR1RARAIKBKBACACBRARB | |
| SCHEMBL8621488 | 0.86 | RARA (0.52) | S1PR1RARAIKBKBACACBRARB | |
| SCHEMBL8617706 | 0.85 | RARA (0.51) | S1PR1RARAIKBKBRARBRARG | |
| SCHEMBL9090664 | 0.85 | RARA (0.43) | S1PR1RARAIKBKBACACBRARB | |
| SCHEMBL8644363 | 0.85 | RARA (0.38) | S1PR1RARAIKBKBACACBRARB | |
| SCHEMBL8616806 | 0.85 | RARA (0.43) | S1PR1RARAIKBKBRARBRARG | |
| SCHEMBL8614430 | 0.85 | RARA (0.43) | S1PR1RARAIKBKBACACBRARB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0679631-B1 | Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use | CIRD GALDERMA (FR) | 1998-05-06 | — | — | EP | claimed |
| US-5574036-A | Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) | 1996-11-12 | — | — | US | claimed |
| US-5574036-A | Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) | 1996-11-12 | — | — | US | disclosed |