Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | CTRC | Q99895 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27507721 | 0.79 | SIGMAR1 (0.38) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL27515932 | 0.78 | ACHE (0.41) | SIGMAR1F2PLGELANECTSG | |
| Bromide SCHEMBL27410484 | 0.76 | SIGMAR1 (0.35) | SIGMAR1F2PLGELANECTSG | |
| Bromide SCHEMBL27722888 | 0.76 | ACHE (0.40) | SIGMAR1F2PLGELANECTSG | |
| Hydrochloric Acid SCHEMBL28350609 | 0.76 | ACHE (0.40) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL28656106 | 0.76 | CYP19A1 (0.36) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL16597148 | 0.76 | CHRNA1 (0.43) | KMT2AALDH1A1 | |
| SCHEMBL9306536 | 0.75 | SIGMAR1 (0.34) | SIGMAR1F2PLGELANECTSG | |
| Bromide SCHEMBL29099283 | 0.75 | CYP19A1 (0.35) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL30672032 | 0.74 | ALDH1A1 (0.40) | SIGMAR1F2PLGELANECTSG |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0166652-B1 | PROCESS FOR THE RING OPENING OF GEM-DICYANOEPOXIDES, AND COMPOUNDS OBTAINED BY THIS PROCESS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1990-04-25 | — | — | EP | claimed |
| CN-105153152-B | A kind of synthetic method of imidazoles fused ring compound | 泉州奔众空气过滤网有限公司 | 2017-06-13 | — | — | CN | disclosed |
| EP-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1097158-B1 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-01-25 | — | — | EP | disclosed |
| EP-1354887-A1 | Ligands for metals and improved metal-catalyzed processes based thereon | Massachusetts Insitute of Technology (US) | 2003-10-22 | — | — | EP | disclosed |
| EP-1097158-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002887-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-01-20 | — | — | WO | disclosed |
| EP-0598962-A1 | Imidazole derivatives as calcium channel blockers | NEUROSEARCH A/S (DK) | 1994-06-01 | — | — | EP | disclosed |
| US-5296493-A | Analgesics or antiischemics | NEUROSEARCH A/S (DK) | 1994-03-22 | — | — | US | disclosed |
| CN-1052305-A | New pyridine derivate, contain their pharmaceutical composition and preparation method thereof | RICHTER GEDEON VEGYESZET (HU) | 1991-06-19 | — | — | CN | disclosed |