Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.55 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.55 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.55 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.48 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22534499 | 0.92 | GRIK1 (0.58) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL7776230 | 0.92 | GRIK1 (0.58) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL6120281 | 0.92 | GRIK1 (0.58) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL10562619 | 0.92 | GRIK1 (0.58) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL847378 | 0.89 | CA2 (0.63) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL593706 | 0.89 | CA2 (0.81) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL27535823 | 0.86 | CHRM1 (0.76) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL11662108 | 0.86 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL14502406 | 0.86 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL4623602 | 0.86 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 |
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-2590955-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004378-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | WO | disclosed |
| EP-2328619-A2 | POLYMERIC BENZYL CARBONATE-DERIVATIVES | Baxter International Inc. (US) | 2011-06-08 | — | — | EP | disclosed |
| WO-2010022320-A2 | POLYMERIC BENZYL CARBONATE-DERIVATIVES | BAXTER INTERNATIONAL INC. (US) | 2010-02-25 | — | — | WO | disclosed |
| EP-0777656-B1 | NOVEL DNA-TARGETED ALKYLATING AGENTS | AUCKLAND DIVISION CANCER SOC O (NZ) | 2004-04-14 | — | — | EP | disclosed |
| US-5968933-A | ANTITUMOR AGENTS AND BINDING DNA FOR MUTAGENESIS | AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) | 1999-10-19 | — | — | US | disclosed |
| EP-0777656-A4 | NOVEL DNA-TARGETED ALKYLATING AGENTS | CANCER SOC AUCKLAND DIV NZ INC (NZ) | 1998-04-15 | — | — | EP | disclosed |
| EP-0777656-A1 | NOVEL DNA-TARGETED ALKYLATING AGENTS | AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND (INCORPORATED) (NZ) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996006831-A1 | NOVEL DNA-TARGETED ALKYLATING AGENTS | AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) | 1996-03-07 | — | — | WO | disclosed |
| EP-0299449-A2 | Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds | ABBOTT LABORATORIES (US) | 1989-01-18 | — | — | EP | disclosed |