Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL21284312 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1SMN1; SMN2KMT2ANOTUM | |
| SCHEMBL20154296 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1SMN1; SMN2KMT2ANOTUM | |
| SCHEMBL29511472 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1SMN1; SMN2KMT2ANOTUM | |
| SCHEMBL30594184 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1SMN1; SMN2KMT2ANOTUM | |
| SCHEMBL21271476 | 0.86 | ITGB3 (0.48) | KDM4ESMN1; SMN2KMT2AITGB3ITGA2B | |
| SCHEMBL20142638 | 0.84 | ALDH1A1 (0.46) | KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A | |
| SCHEMBL22837967 | 0.80 | CTSL (0.39) | ALDH1A1SMN1; SMN2KMT2AITGB3ITGA2B | |
| SCHEMBL29219865 | 0.80 | CTSL (0.39) | ALDH1A1SMN1; SMN2KMT2AITGB3ITGA2B | |
| SCHEMBL30541441 | 0.80 | CTSL (0.39) | ALDH1A1SMN1; SMN2KMT2AITGB3ITGA2B | |
| SCHEMBL30671498 | 0.80 | CTSL (0.39) | ALDH1A1SMN1; SMN2KMT2AITGB3ITGA2B |
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-3538528-B1 | PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-12-23 | — | — | EP | disclosed |