Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29987608 | 0.85 | CES1 (0.40) | CYP3A4CYP11B2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL459641 | 0.85 | CES1 (0.40) | CYP3A4CYP11B2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5119030 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP11B2NPC1TP53RAB9A | |
| SCHEMBL16340167 | 0.82 | NPC1 (0.42) | CYP3A4CYP11B2NPC1TP53POLB | |
| SCHEMBL28295887 | 0.81 | RAB9A (0.45) | CYP3A4CYP11B2NPC1NFKB1RAB9A | |
| SCHEMBL4132334 | 0.79 | CYP11B2 (0.56) | CYP3A4CYP11B2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6789105 | 0.78 | PTPN1 (0.46) | CYP3A4NPC1RAB9AHTR1AHTR7 | |
| SCHEMBL10761030 | 0.77 | CYP3A4 (0.43) | CYP3A4CYP11B2TP53CYP17A1CYP11B1 | |
| SCHEMBL6069049 | 0.77 | SRD5A2 (0.51) | NPC1RAB9ACES1MAPTCYP2C9 | |
| Cadaverine Tartrate SCHEMBL30208244 | 0.76 | SRD5A1 (0.36) | CYP3A4CYP11B2CYP17A1CYP11B1CES1 |
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-2177505-A1 | BICYCLIC ACYLGUANIDINE DERIVATIVE | Astellas Pharma Inc. (JP) | 2010-04-21 | — | — | EP | disclosed |