Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6984840 | 0.80 | KDM4E (0.51) | AKT1GAAKMT2ANPC1RAB9A | |
| SCHEMBL5051442 | 0.78 | SRC (0.47) | AKT1GAAKMT2ANPC1RAB9A | |
| SCHEMBL6981483 | 0.75 | SRC (0.44) | AKT1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL6984536 | 0.74 | GLO1 (0.48) | KMT2AHPGDALDH1A1KDM4EPARP14 | |
| SCHEMBL13310231 | 0.73 | NPC1 (0.54) | GAANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL6981447 | 0.73 | NPC1 (0.68) | GAAKMT2ANPC1RAB9AHPGD | |
| SCHEMBL3316275 | 0.73 | SRC (0.45) | AKT1ALDH1A1LMNAEPHX2 | |
| Hydrochloric Acid SCHEMBL9059030 | 0.72 | KDM4E (0.55) | GAAKMT2ANPC1RAB9AKCNQ2 | |
| SCHEMBL379494 | 0.72 | SRC (0.47) | AKT1KMT2ANPC1HPGDALDH1A1 | |
| SCHEMBL6981714 | 0.72 | KMT2A (0.51) | GAAKMT2AHPGDALDH1A1LMNA |
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-0991624-B1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-11-19 | — | — | EP | disclosed |