Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.47 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.47 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.47 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6497058 | 0.88 | KEAP1 (0.56) | ALDH1A1KDM4ERAB9ANPC1KEAP1 | |
| SCHEMBL8327562 | 0.81 | TDP1 (0.54) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL6989270 | 0.80 | ALDH1A1 (0.51) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL28012695 | 0.79 | NPC1 (0.65) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL6983635 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL659281 | 0.76 | NPC1 (0.59) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL654154 | 0.74 | TAAR1 (0.56) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL27600035 | 0.74 | FFAR1 (0.50) | ALDH1A1KDM4ERAB9ANPC1PLAAT3 | |
| SCHEMBL6981701 | 0.74 | ATM (0.43) | ALDH1A1RAB9ANPC1L3MBTL1TDP1 | |
| Benzylacetone SCHEMBL27625519 | 0.73 | ALDH1A1 (0.81) | ALDH1A1KDM4ERAB9ANPC1LMNA |
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 | claimed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | claimed |