Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 6/20 | 0.44 |
| ▸ | F2 | P00734 | 3/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL19724972 | 0.84 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2ACACBHTR2CHRH1 | |
| SCHEMBL12001266 | 0.78 | ACACB (0.52) | ALDH1A1ACACBMMP2MMP8KMT2A | |
| SCHEMBL13766409 | 0.77 | HRH1 (0.54) | HTR2CHRH1F10F2 | |
| SCHEMBL19724789 | 0.77 | HRH1 (0.62) | ALDH1A1HTR2CHRH1CTSLCTSB | |
| SCHEMBL14578145 | 0.77 | HRH1 (0.71) | HTR2CHRH1F10F2 | |
| SCHEMBL5098947 | 0.76 | CHRM3 (0.50) | ALDH1A1SMN1; SMN2HTR2CHRH1CTSL | |
| SCHEMBL8893118 | 0.75 | F10 (0.52) | HRH1F10F2KMT2A | |
| SCHEMBL15918526 | 0.75 | ACACB (0.64) | ACACB | |
| SCHEMBL19724701 | 0.75 | ACACB (0.48) | ACACBHTR2CF10F2 | |
| SCHEMBL16187534 | 0.75 | ACACB (0.64) | ACACB |
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-2986604-B1 | PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-12-20 | — | — | EP | disclosed |
| WO-2014114578-A1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-31 | — | — | WO | disclosed |