Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.35 |
| ▸ | PRKDC | P78527 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2452946 | 0.81 | MCL1 (0.46) | KDM4EALPLGAACA12CA1 | |
| SCHEMBL7722881 | 0.79 | ESR1 (0.43) | KDM4EALPLGAACYP1A2ALDH1A1 | |
| SCHEMBL5682758 | 0.79 | CYP1A2 (0.39) | KDM4EALPLGAACYP1A2CYP2A6 | |
| SCHEMBL6655477 | 0.79 | MAOA (0.42) | KDM4EALPLGAACYP1A2CYP2A6 | |
| SCHEMBL7067601 | 0.79 | CYP1A2 (0.42) | KDM4ECYP1A2CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL5323119 | 0.79 | CYP1A1 (0.39) | KDM4EALPLGAACYP1A2CYP1A1 | |
| SCHEMBL434431 | 0.78 | L3MBTL1 (0.38) | KDM4ECYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL28608506 | 0.78 | CA12 (0.43) | KDM4EALPLGAACA12CA1 | |
| SCHEMBL6537034 | 0.77 | ALDH1A1 (0.40) | KDM4EALPLGAACYP1A2CYP2A6 | |
| SCHEMBL147800 | 0.76 | POLB (0.40) | KDM4EALPLGAACYP1A2CYP2A6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | claimed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | claimed |
| CN-1440390-A | Substituted diamine derivatives as motilin antagonists | ORTHO MCNEIL PHARM INC (US) | 2003-09-03 | — | — | CN | disclosed |
| EP-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | disclosed |
| US-6166072-A | Amino acid derivatives | ALLELIX NEUROSCIENCE, INC. (CA) | 2000-12-26 | — | — | US | disclosed |
| US-5156669-A | Fungicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-20 | — | — | US | disclosed |