Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.36 |
| ▸ | GBA3 | Q9H227 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 9/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL11085351 | 0.92 | S1PR1 (0.36) | GBA1GBA3 | |
| SCHEMBL11110273 | 0.89 | CNR2 (0.39) | GBA1GBA3EPHX1CNR2 | |
| SCHEMBL497201 | 0.89 | CNR2 (0.39) | GBA1GBA3EPHX1CNR2 | |
| Phosphoric Acid SCHEMBL11090270 | 0.82 | S1PR4 (0.39) | CNR2 | |
| Phosphoric Acid SCHEMBL11084348 | 0.82 | S1PR4 (0.39) | CNR2 | |
| SCHEMBL15271904 | 0.82 | THRB (0.40) | EPHX1CES2GMNNTP53POLB | |
| SCHEMBL15271194 | 0.82 | THRB (0.40) | EPHX1CES2GMNNTP53POLB | |
| SCHEMBL15271476 | 0.82 | THRB (0.40) | EPHX1CES2GMNNTP53POLB | |
| SCHEMBL16413053 | 0.82 | THRB (0.40) | EPHX1CES2GMNNTP53POLB | |
| SCHEMBL15270730 | 0.82 | THRB (0.40) | EPHX1CES2GMNNTP53POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0021212-B1 | PROCESS FOR PREPARING STABLY STORABLE COPOLYMERS OF 2-CHLORO-1,3-BUTADIENE AND SULFUR | BAYER AG (DE) | 1984-08-08 | — | — | EP | disclosed |
| US-4444766-A | ANTITUMOR | BOEHRINGER MANNHEIM GMBH (DE) | 1984-04-24 | — | — | US | disclosed |