Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7957349 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL517482 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL27549455 | 0.78 | KDM4E (0.39) | ALDH1A1MAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL15710383 | 0.77 | HTR3E (0.49) | ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL3223360 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL17542771 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL16440154 | 0.77 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL17893532 | 0.75 | ALDH1A1 (0.43) | ALDH1A1MAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL1681827 | 0.74 | DRD2 (0.64) | ALDH1A1MAPTSMN1; SMN2LMNAKMT2A | |
| SCHEMBL7492848 | 0.73 | TSHR (0.54) | ALDH1A1MAPTSMN1; SMN2LMNAHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6225324-B1 | POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY | 2001-05-01 | — | — | US | disclosed |