Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2448879 | 0.83 | ESR1 (0.48) | CYP1A2GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL8089523 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP2A6GSTP1ESR1ESR2 | |
| SCHEMBL8640563 | 0.79 | KAT6A (0.35) | CYP1A2CYP2A6GSTP1ESR1ESR2 | |
| SCHEMBL6537086 | 0.79 | GSTP1 (0.42) | CYP1A2CYP2A6GSTP1ESR1ESR2 | |
| SCHEMBL5093327 | 0.79 | MAOB (0.35) | CYP1A2CYP2A6ESR2SMN1; SMN2ALDH1A1 | |
| SCHEMBL28596743 | 0.79 | ESR1 (0.48) | CYP1A2GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL10448716 | 0.79 | CYP2A6 (0.50) | CYP1A2CYP2A6GSTP1ESR1ESR2 | |
| SCHEMBL10448704 | 0.79 | CYP2A6 (0.50) | CYP1A2CYP2A6GSTP1ESR1ESR2 | |
| SCHEMBL8634666 | 0.78 | ESR1 (0.37) | CYP1A2CYP2A6GSTP1ESR1ESR2 | |
| SCHEMBL1205892 | 0.77 | TAAR1 (0.44) | ESR2HSD17B1HSD17B2CYP11B1CYP11B2 |
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 6 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-5156669-A | Fungicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-20 | — | — | US | disclosed |