Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | BCL9 | O00512 | 3/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.43 |
| ▸ | F10 | P00742 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16187532 | 1.00 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP2C19ACACBNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL23141990 | 0.93 | LNPEP (0.55) | SMN1; SMN2CYP2C19ACACBNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL23141992 | 0.93 | LNPEP (0.55) | SMN1; SMN2CYP2C19ACACBNPC1RAB9A | |
| SCHEMBL18176104 | 0.88 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP2C19ACACBNPC1RAB9A | |
| SCHEMBL15918410 | 0.85 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP2C19NPC1RAB9ALNPEP | |
| SCHEMBL16213720 | 0.84 | ACACB (0.56) | SMN1; SMN2ACACBNPC1RAB9A | |
| SCHEMBL16481368 | 0.84 | ACACB (0.59) | ACACB | |
| SCHEMBL16213721 | 0.84 | ACACB (0.59) | ACACB | |
| SCHEMBL18176134 | 0.82 | ACACB (0.54) | ACACBPDE4BCTSLCTSSCTSK | |
| SCHEMBL16187531 | 0.82 | ACACB (0.54) | ACACBPDE4BCTSLCTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2948442-B1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2016-10-26 | — | — | EP | disclosed |
| WO-2014114578-A1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-31 | — | — | WO | disclosed |
| WO-2014056771-A1 | NEW PYRROLIDINE DERIVATIVES AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-04-17 | — | — | WO | disclosed |