Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | F2 | P00734 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5672913 | 0.87 | KMT2A (0.42) | ALDH1A1GAAKMT2AMEN1ESR1 | |
| SCHEMBL5674364 | 0.84 | F2 (0.49) | ALDH1A1GAATSHRKMT2AMEN1 | |
| SCHEMBL5672890 | 0.82 | ALPL (0.55) | ALDH1A1TSHRLMNAF2SMN1; SMN2 | |
| SCHEMBL5674234 | 0.81 | F2 (0.47) | KMT2AMEN1ESR1ATMESR2 | |
| SCHEMBL14878174 | 0.81 | MEN1 (0.60) | ALDH1A1GAAKMT2AMEN1ESR1 | |
| Orcinol SCHEMBL5673612 | 0.80 | ALPL (0.53) | ALDH1A1TSHRKMT2AMEN1LMNA | |
| SCHEMBL5672878 | 0.79 | F2 (0.49) | F2 | |
| SCHEMBL8482817 | 0.78 | F2 (0.39) | ALDH1A1KMT2ALMNAF2MAPT | |
| SCHEMBL6745851 | 0.78 | F2 (0.56) | KMT2AMEN1ESR1ATMESR2 | |
| SCHEMBL5674278 | 0.77 | F2 (0.52) | KMT2AMEN1LMNAF2HTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906091-B1 | AMIDINOHYDRAZONES AS PROTEASE INHIBITORS | ORTHO MCNEIL PHARM INC (US) | 2006-10-04 | — | — | EP | disclosed |
| EP-0906091-A4 | AMIDINOHYDRAZONES AS PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 2004-07-21 | — | — | EP | disclosed |
| EP-0906091-A1 | AMIDINOHYDRAZONES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-04-07 | — | — | EP | disclosed |
| US-5891909-A | Amidinohydrazones as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-04-06 | — | — | US | disclosed |
| WO-1997036580-A1 | AMIDINOHYDRAZONES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1997-10-09 | — | — | WO | disclosed |