Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | PLG | P00747 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.46 |
| ▸ | KLK1 | P06870 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9308535 | 0.90 | CES2 (0.58) | CYP1A2CES2CES1F2PLG | |
| SCHEMBL6312637 | 0.83 | NPC1 (0.48) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL2837486 | 0.83 | CES2 (0.65) | CYP1A2CYP2A6CES2CES1F2 | |
| SCHEMBL11706745 | 0.77 | HSD17B14 (0.67) | CYP1A2CYP2A6CES2CES1POLB | |
| SCHEMBL8638260 | 0.74 | CYP1A2 (0.46) | CYP1A2CYP2A6CES2CES1POLB | |
| Beta-Naphtoic Acid SCHEMBL21044730 | 0.74 | CES2 (0.50) | CYP1A2CYP2A6CES2CES1POLB | |
| SCHEMBL3697081 | 0.73 | CES2 (0.58) | CES2CES1MEN1KMT2APTPN1 | |
| SCHEMBL10517865 | 0.73 | CES2 (0.58) | CYP1A2CES2CES1F2PLG | |
| SCHEMBL6317725 | 0.73 | CES2 (0.58) | CES2CES1MEN1KMT2AKDM4E | |
| SCHEMBL6313384 | 0.73 | CES2 (0.58) | CES2CES1MEN1KMT2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1440390-A | Substituted diamine derivatives as motilin antagonists | ORTHO MCNEIL PHARM INC (US) | 2003-09-03 | — | — | CN | claimed |
| 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 |