Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL16397785 | 0.87 | GPR35 (0.46) | GPR35ALDH1A1LMNAHSP90AA1MAPT | |
| SCHEMBL6936036 | 0.87 | GPR35 (0.46) | GPR35ALDH1A1LMNAHSP90AA1MAPT | |
| SCHEMBL9450310 | 0.82 | AKR1B1 (0.50) | GPR35ALDH1A1LMNAMAPTTDP1 | |
| SCHEMBL31442676 | 0.81 | GPR35 (0.43) | GPR35ALDH1A1LMNAHSP90AA1MAPT | |
| SCHEMBL1373558 | 0.80 | ALDH1A1 (0.44) | GPR35ALDH1A1LMNAMAPTTDP1 | |
| SCHEMBL1372574 | 0.80 | GPR35 (0.48) | GPR35ALDH1A1LMNAHSP90AA1MAPT | |
| SCHEMBL7643476 | 0.78 | ALDH1A1 (0.40) | GPR35ALDH1A1LMNAHSP90AA1MAPT | |
| SCHEMBL162263 | 0.78 | TDP1 (0.47) | GPR35ALDH1A1LMNAHSP90AA1MAPT | |
| SCHEMBL29704507 | 0.78 | TDP1 (0.47) | GPR35ALDH1A1LMNAHSP90AA1MAPT | |
| SCHEMBL6421024 | 0.77 | TDP1 (0.40) | GPR35ALDH1A1LMNAHSP90AA1MAPT |
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-5232978-A | 1-(2-arylethyl)-pyrrolidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-03 | — | — | US | disclosed |
| EP-0483580-A2 | 1-(2-Arylethyl)-pyrrolidine | MERCK PATENT GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |