Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.52 |
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6983635 | 0.81 | ALDH1A1 (0.53) | NPC1POLBRAB9AALDH1A1LMNA | |
| SCHEMBL28128458 | 0.79 | GPR52 (0.58) | CTSLCTSBGPR52FFAR1NPC1 | |
| SCHEMBL29579853 | 0.79 | GPR52 (0.58) | CTSLCTSBGPR52FFAR1NPC1 | |
| SCHEMBL6983189 | 0.75 | GRIN2B (0.50) | CTSLCTSBNPC1RAB9AALDH1A1 | |
| SCHEMBL1515848 | 0.75 | CES2 (0.55) | GPR52NPC1CES2CES1RAB9A | |
| SCHEMBL28552020 | 0.75 | GPR52 (0.47) | CTSLCTSBGPR52NPC1CES2 | |
| SCHEMBL30209486 | 0.75 | GPR52 (0.47) | CTSLCTSBGPR52NPC1CES2 | |
| SCHEMBL29580879 | 0.72 | NPC1 (0.54) | CTSLCTSBGPR52FFAR1NPC1 | |
| SCHEMBL9788780 | 0.72 | NPC1 (0.54) | CTSLCTSBGPR52FFAR1NPC1 | |
| SCHEMBL6985463 | 0.71 | L3MBTL1 (0.56) | NPC1CES2CES1RAB9ACNR2 |
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 2 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 | disclosed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | disclosed |