Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.51 |
| ▸ | SLC22A8 | Q8TCC7 | 2/20 | 0.51 |
| ▸ | HAAO | P46952 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27479146 | 0.83 | SLC22A6 (0.47) | SLC22A6SLC22A8HAAOCYP1A2CYP3A4 | |
| SCHEMBL31084599 | 0.83 | SLC22A8 (0.66) | SLC22A6SLC22A8CYP1A2PTGS2ALDH1A1 | |
| SCHEMBL12760673 | 0.82 | CYP3A4 (0.41) | SLC22A6SLC22A8HAAOCYP1A2MEN1 | |
| SCHEMBL28841150 | 0.81 | SLC22A6 (0.46) | SLC22A6SLC22A8HAAOCYP1A2ALDH1A1 | |
| SCHEMBL332990 | 0.81 | CYP1A2 (0.50) | SLC22A6SLC22A8CYP1A2CYP3A4PTGS2 | |
| Propene SCHEMBL28186167 | 0.79 | SLC22A6 (0.49) | SLC22A6SLC22A8HAAOCYP1A2CYP3A4 | |
| SCHEMBL31338864 | 0.77 | ALDH1A1 (0.55) | SLC22A6SLC22A8CYP1A2MEN1AKR1B10 | |
| SCHEMBL357340 | 0.77 | ALDH1A1 (0.55) | SLC22A6SLC22A8CYP1A2MEN1AKR1B10 | |
| SCHEMBL12495244 | 0.76 | TSHR (0.55) | SLC22A6SLC22A8MEN1LMNACYP3A4 | |
| SCHEMBL29370019 | 0.74 | CYP1A2 (0.48) | HAAOCYP1A2MEN1AKR1B10TRPA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106536508-A | ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE | 武田药品工业株式会社 | 2017-03-22 | — | — | CN | disclosed |
| EP-3134386-A1 | ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE | Takeda Pharmaceutical Company Limited (JP) | 2017-03-01 | — | — | EP | disclosed |
| WO-2015163485-A1 | ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-29 | — | — | WO | disclosed |
| US-6303593-B1 | FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-10-16 | — | — | US | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |