Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL15764679 | 0.89 | RAB9A (0.47) | RAB9ANPC1CASP1TSHRSMN1; SMN2 | |
| SCHEMBL16166177 | 0.86 | RAB9A (0.44) | RAB9ANPC1CASP1TSHRSMN1; SMN2 | |
| SCHEMBL15481191 | 0.85 | EPHX1 (0.49) | RAB9ANPC1CASP1TSHRSMN1; SMN2 | |
| SCHEMBL17537035 | 0.84 | TSHR (0.47) | RAB9ANPC1CASP1TSHRSMN1; SMN2 | |
| SCHEMBL12368087 | 0.82 | L3MBTL1 (0.48) | RAB9ANPC1CASP1TSHRSMN1; SMN2 | |
| SCHEMBL7057167 | 0.81 | NPC1 (0.63) | RAB9ANPC1CASP1TSHRSMN1; SMN2 | |
| SCHEMBL7061424 | 0.81 | NPC1 (0.63) | RAB9ANPC1CASP1TSHRSMN1; SMN2 | |
| SCHEMBL6824699 | 0.81 | RAB9A (0.56) | RAB9ANPC1TSHRSMN1; SMN2HPGD | |
| SCHEMBL7985754 | 0.79 | EPHX1 (0.46) | RAB9ANPC1CASP1TSHRSMN1; SMN2 | |
| SCHEMBL20118453 | 0.78 | RAB9A (0.47) | RAB9ANPC1CASP1TSHRSMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-1870100-B1 | Ethyl 3-(2-(4-(hexyloxycarbonylamidino)phenylaminomethyl)-1-methyl-1H-benzimidazole-5-carbonyl)-2-pyridylamino)propionate methansulfonate | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-01-11 | — | — | EP | disclosed |