Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | RHOA | P61586 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RHOC | P08134 | 1/20 | 0.51 |
| ▸ | CCR2 | P41597 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL77309 | 0.88 | MAPT (0.63) | TP53MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL13234925 | 0.80 | RAB9A (0.70) | TP53MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL10596224 | 0.78 | MAPT (0.69) | TP53MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL13691562 | 0.78 | MAPT (0.88) | TP53MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL4198615 | 0.77 | NPC1 (0.59) | TP53MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL7298745 | 0.75 | HPGD (0.69) | TP53MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL27979652 | 0.75 | CA12 (0.71) | TP53MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL14414045 | 0.74 | CCR2 (0.59) | TP53MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL1574534 | 0.74 | TP53 (0.57) | TP53MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL1575212 | 0.74 | TP53 (0.57) | TP53MAPTRAB9ALMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004087646-A2 | PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2004-10-14 | — | — | WO | disclosed |