Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 6/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | RORA | P35398 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | RORB | Q92753 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8793396 | 0.96 | BACE1 (0.47) | MAOAMAOBACHECNR2BACE1 | |
| Hydrochloric Acid SCHEMBL8794370 | 0.95 | BACE1 (0.46) | MAOAMAOBACHECNR2BACE1 | |
| SCHEMBL8616724 | 0.94 | MAOA (0.41) | MAOAMAOBACHECNR2BACE1 | |
| Hydrochloric Acid SCHEMBL8619500 | 0.93 | MAOA (0.40) | MAOAMAOBACHECNR2BACE1 | |
| SCHEMBL8616063 | 0.91 | MAPT (0.51) | MEN1KMT2APGRHDAC8HDAC6 | |
| SCHEMBL8794106 | 0.81 | CNR2 (0.42) | CNR2MEN1KMT2APGRRORA | |
| SCHEMBL8614516 | 0.81 | MAPK1 (0.43) | MAOAMAOBACHEBACE1ALDH1A1 | |
| SCHEMBL8794286 | 0.78 | ALDH1A1 (0.57) | KMT2AHDAC8HDAC6CYP1A2ALDH1A1 | |
| SCHEMBL8614885 | 0.77 | MAPK1 (0.47) | MAOAMAOBBACE1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL8619108 | 0.76 | MAPK1 (0.46) | MAOAMAOBBACE1ALDH1A1LMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0612729-B1 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-04-23 | — | — | EP | claimed |
| EP-0612729-A2 | Pyridine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1994-08-31 | — | — | EP | claimed |
| EP-0522606-A2 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-01-13 | — | — | EP | claimed |
| EP-0645386-B1 | N-Azinyl-N'-(het)arylsulfonylureas as herbicides | BAYER AG (DE) | 1997-12-29 | — | — | EP | disclosed |
| EP-0612729-B1 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-04-23 | — | — | EP | disclosed |
| US-5561147-A | ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-01 | — | — | US | disclosed |
| US-5457106-A | Antiinflammatory agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-10-10 | — | — | US | disclosed |
| EP-0645386-A1 | N-Azinyl-N'-(het)arylsulfonylureas as herbicides | BAYER AG (DE) | 1995-03-29 | — | — | EP | disclosed |
| US-5389658-A | Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-02-14 | — | — | US | disclosed |
| EP-0612729-A2 | Pyridine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1994-08-31 | — | — | EP | disclosed |
| US-5246948-A | Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-09-21 | — | — | US | disclosed |
| EP-0522606-A2 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-01-13 | — | — | EP | disclosed |