Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11968453 | 0.79 | — | — | |
| SCHEMBL21127002 | 0.79 | ALDH1A1 (0.47) | ALDH1A1RAB9AKMT2AGAAPOLB | |
| SCHEMBL23841443 | 0.78 | ALDH1A1 (0.39) | ALDH1A1RAB9AKMT2AGAAPOLB | |
| SCHEMBL81620 | 0.78 | ALDH1A1 (0.39) | ALDH1A1RAB9AKMT2AGAAPOLB | |
| SCHEMBL12236665 | 0.78 | ALDH1A1 (0.39) | ALDH1A1RAB9AKMT2AGAAPOLB | |
| SCHEMBL19725016 | 0.76 | ALDH1A1 (0.38) | ALDH1A1RAB9AKMT2AGAAPOLB | |
| SCHEMBL4874048 | 0.76 | ALDH1A1 (0.38) | ALDH1A1RAB9AKMT2AGAAPOLB | |
| Hydrochloric Acid SCHEMBL28293325 | 0.74 | — | — | |
| SCHEMBL13162637 | 0.74 | — | — | |
| SCHEMBL13162613 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2986604-B1 | PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-12-20 | — | — | EP | disclosed |