Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 3/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL9473812 | 0.84 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL3643939 | 0.84 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL7644709 | 0.83 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2POLB | |
| Acetamide SCHEMBL1358328 | 0.82 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2POLB | |
| Acetamide SCHEMBL1358326 | 0.82 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL7644711 | 0.80 | MMP2 (0.39) | ARALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL8718890 | 0.79 | SPHK1 (0.44) | ALDH1A1SMN1; SMN2DPP4SPHK1KMT2A | |
| SCHEMBL7322642 | 0.78 | LTA4H (0.46) | ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1 | |
| SCHEMBL7497512 | 0.74 | ELANE (0.50) | ARELANEDPP4POLB | |
| SCHEMBL27534007 | 0.74 | ELANE (0.50) | ARELANEDPP4POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993018003-A1 | SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1993-09-16 | — | — | WO | claimed |
| US-5807870-A | SIDE EFFECT REDUCTION | BIOMEGA BOEHRINGER INGELHEIM RESEARCH LTD. (CA) | 1998-09-15 | — | — | US | disclosed |
| US-5614533-A | Substituted pipecolinic acid derivatives as HIV protease inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) | 1997-03-25 | — | — | US | disclosed |