Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7502182 | 0.89 | S1PR3 (0.43) | ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1 | |
| SCHEMBL8105457 | 0.77 | ALDH1A1 (0.47) | ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1 | |
| SCHEMBL2210707 | 0.77 | NPC1 (0.63) | RAB9ASLC6A3BCHEACHEPLAT | |
| SCHEMBL7505745 | 0.75 | GABRA1 (0.46) | SLC6A3GABRA1GABRB2GABRG2GABRB3 | |
| SCHEMBL5765171 | 0.75 | USP7 (0.47) | SLC6A3GABRA1GABRB2HTR2BBCHE | |
| SCHEMBL3120592 | 0.74 | SMYD3 (0.43) | GABRA1BCHEACHEGABRG2GABRB3 | |
| SCHEMBL5764334 | 0.73 | MKNK1 (0.47) | GABRA1GABRB2HTR2CHTR2BGABRG2 | |
| SCHEMBL3868513 | 0.72 | NMT1 (0.55) | PLATNMT1 | |
| Hydrochloric Acid SCHEMBL5765492 | 0.72 | GABRA1 (0.46) | GABRA1GABRB2HTR2CHTR2BGABRG2 | |
| Hydrochloric Acid SCHEMBL3597129 | 0.71 | NMT1 (0.54) | GABRA1GABRB2PLATNMT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |