Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11421553 | 0.98 | TDP1 (0.46) | PTGDR2TDP1ALOX15TP53CYP3A4 | |
| SCHEMBL18585585 | 0.90 | TDP1 (0.50) | PTGDR2TDP1ALOX15TP53CYP3A4 | |
| SCHEMBL8785316 | 0.85 | ALOX15 (0.45) | PTGDR2TDP1ALOX15TP53CYP3A4 | |
| SCHEMBL5150614 | 0.80 | ALDH1A1 (0.44) | TDP1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL7422191 | 0.80 | PTGDR2 (0.50) | PTGDR2TP53NOS3NOS1NOS2 | |
| SCHEMBL29974719 | 0.80 | ALDH1A1 (0.44) | TDP1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL11636821 | 0.79 | PTGS2 (0.43) | PTGDR2TDP1ALOX15TP53CYP3A4 | |
| SCHEMBL10627717 | 0.78 | BACE1 (0.49) | TDP1ALDH1A1TDO2BACE1HSP90AA1 | |
| P-Xylene SCHEMBL9420802 | 0.78 | PTGDR2 (0.49) | PTGDR2TP53SMN1; SMN2NOS3NOS1 | |
| SCHEMBL31587020 | 0.78 | NOS3 (0.47) | PTGDR2TDP1ALOX15TP53CYP3A4 |
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-0623113-B1 | PYRAZOLE CARBOXANILIDE FUNGICIDES | MONSANTO CO (US) | 1997-03-05 | — | — | EP | disclosed |
| US-5223526-A | For plants | MONSANTO COMPANY (US) | 1993-06-29 | — | — | US | disclosed |
| WO-1993011117-A1 | PYRAZOLE CARBOXANILIDE FUNGICIDES | MONSANTO COMPANY (US) | 1993-06-10 | — | — | WO | disclosed |
| US-5068435-A | Alkylation of amines with alkenes in the presence of alumina catalyst | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-11-26 | — | — | US | disclosed |
| US-4967001-A | Adding water to catalyst | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-10-30 | — | — | US | disclosed |
| US-4914237-A | REGENERATION OF CATALYSTS BY CONTROLLED ADDITION OF WATER | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-04-03 | — | — | US | disclosed |
| US-4876377-A | SELECTIVITY TO ORTHO POSITION, BY-PRODUCT INHIBITION | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-10-24 | — | — | US | disclosed |
| US-4851579-A | REACTING WITH OLEFINS OR ALCOHOLS TO GIVE ORTHO-ALKYLATED PRODUCTS; CATALYST SELECTIVITY | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-07-25 | — | — | US | disclosed |
| US-4760184-A | Reacting with alcohol, olefin or diolefin in presence of alkylating catalyst of larger microspores | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-07-26 | — | — | US | disclosed |
| US-4740620-A | HIGH SELECTIVITY TO THE ORTHO POSITION | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-04-26 | — | — | US | disclosed |
| EP-0245797-A2 | Alkylation of aromatic amines in the presence of non-zeolitic molecular sieves | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1987-11-19 | — | — | EP | disclosed |
| EP-0240018-A2 | Alkylation of aromatic amines with olefins on partially dealuminated zeolites | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1987-10-07 | — | — | EP | disclosed |