Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 6/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1697683 | 0.83 | SMN1; SMN2 (0.58) | ACACBALDH1A1HPGDLMNA | |
| SCHEMBL1697681 | 0.83 | SMN1; SMN2 (0.58) | ACACBALDH1A1HPGDLMNA | |
| SCHEMBL8700356 | 0.83 | GAA (0.55) | ACACBALDH1A1HPGD | |
| SCHEMBL12436366 | 0.82 | ALDH1A1 (0.58) | ACACBALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL10117995 | 0.82 | ALDH1A1 (0.58) | ACACBALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL10117998 | 0.82 | ALDH1A1 (0.58) | ACACBALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL15048272 | 0.82 | CTSK (0.48) | ACACBCA1CA2CA7MIF | |
| SCHEMBL3502878 | 0.82 | CTSK (0.48) | ACACBCA1CA2CA7MIF | |
| SCHEMBL3502879 | 0.82 | CTSK (0.48) | ACACBCA1CA2CA7MIF | |
| SCHEMBL14142927 | 0.82 | ACACB (0.54) | ACACBESR2CA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |