Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | MMP8 | P22894 | 2/20 | 0.50 |
| ▸ | MMP13 | P45452 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7852457 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HTR1AMAOAMAOBKCNH2 | |
| SCHEMBL7844655 | 0.75 | CNR1 (0.48) | ALDH1A1SMN1; SMN2CNR1 | |
| Moclobemide SCHEMBL3408310 | 0.75 | CD274 (1.00) | ALDH1A1HTR1AMAOAMAOBKCNH2 | |
| Moclobemide SCHEMBL49708 | 0.75 | CD274 (1.00) | ALDH1A1HTR1AMAOAMAOBKCNH2 | |
| SCHEMBL7844467 | 0.75 | NPC1 (0.65) | ALDH1A1SMN1; SMN2MMP2MMP9MMP8 | |
| Moclobemide SCHEMBL11475483 | 0.74 | CD274 (0.97) | ALDH1A1HTR1AMAOAMAOBKCNH2 | |
| SCHEMBL11440161 | 0.70 | ALDH1A1 (0.71) | ALDH1A1HTR1AMAOAMAOBKCNH2 | |
| SCHEMBL15126028 | 0.70 | POLB (0.61) | ALDH1A1KMT2A | |
| SCHEMBL7854391 | 0.69 | NPC1 (0.47) | ALDH1A1SMN1; SMN2KMT2AMAPTLMNA | |
| Hydrochloric Acid SCHEMBL11475540 | 0.69 | ALDH1A1 (0.69) | ALDH1A1HTR1AMAOAMAOBKCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0709373-B1 | PYRROLIDINE DERIVATIVE | ZAIDAN HOJIN BISEIBUTSU (JP) | 2001-10-17 | — | — | EP | disclosed |
| US-5965556-A | KETO-ACID AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR INHIBITING THE ACTIVITY OF SERINE PROTEASE OR THIOL PROTEASE BY ADMINISTERING THE DERIVATIVE TO A MAMMAL; ALZHEIMER'S DISEASE | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) | 1999-10-12 | — | — | US | disclosed |
| US-5756763-A | ENZYME INHIBITOR | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0709373-A1 | NOVEL PYRROLIDINE DERIVATIVE | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1996-05-01 | — | — | EP | disclosed |