Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 2/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16265191 | 0.93 | RARB (0.48) | RARBRARACYP2D6CYP3A4RAB9A | |
| SCHEMBL19636766 | 0.88 | RARA (0.45) | RARBRARACYP2D6CYP3A4RAB9A | |
| SCHEMBL16265268 | 0.86 | RARB (0.43) | RARBRARACYP2D6CYP3A4RAB9A | |
| SCHEMBL17696654 | 0.85 | RARA (0.40) | RARBRARACYP2D6CYP3A4RAB9A | |
| SCHEMBL16265325 | 0.84 | RARB (0.41) | RARBRARACYP2D6CYP3A4RAB9A | |
| SCHEMBL17694360 | 0.84 | RARB (0.41) | RARBRARACYP2D6CYP3A4RAB9A | |
| SCHEMBL16265233 | 0.83 | ALDH1A1 (0.43) | RARBRARACYP2D6CYP3A4RAB9A | |
| SCHEMBL16265330 | 0.82 | RARB (0.40) | RARBRARACYP2D6CYP3A4RAB9A | |
| SCHEMBL19798758 | 0.78 | RARA (0.39) | RARBRARACYP2D6CYP3A4RAB9A | |
| SCHEMBL22268268 | 0.77 | S1PR1 (0.42) | RARBRARACYP2D6CYP3A4RAB9A |
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-10711138-B2 | Intermediates and procedures for the synthesis of functional materials | MERCK PATENT GMBH (DE) | 2020-07-14 | — | — | US | disclosed |
| US-20190127586-A1 | INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS | MERCK PATENT GMBH (DE) | 2019-05-02 | — | — | US | disclosed |
| WO-2017174619-A1 | INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS | MERCK PATENT GMBH (DE) | 2017-10-12 | — | — | WO | disclosed |