Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.63 |
| ▸ | CA1 | P00915 | 3/20 | 0.63 |
| ▸ | CA2 | P00918 | 3/20 | 0.63 |
| ▸ | CA9 | Q16790 | 3/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.63 |
| ▸ | ESR1 | P03372 | 4/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL176369 | 0.92 | CA12 (0.71) | CA12CA1CA2CA9CA14 | |
| Terephthalic Acid SCHEMBL28552075 | 0.86 | CA1 (0.65) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2832918 | 0.85 | CA1 (0.63) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2909577 | 0.83 | CA12 (0.61) | CA12CA1CA2CA9CA14 | |
| SCHEMBL11410746 | 0.83 | CA12 (0.66) | CA12CA1CA2CA9CA14 | |
| SCHEMBL576636 | 0.82 | NPC1 (0.69) | CA12CA1CA2CA9CA14 | |
| SCHEMBL22767270 | 0.82 | ESR1 (0.60) | CA12CA1CA2CA9CA14 | |
| SCHEMBL11746611 | 0.81 | CA12 (0.59) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7876192 | 0.81 | ESR1 (0.61) | CA12CA1CA2CA9CA14 | |
| SCHEMBL13402894 | 0.80 | CA12 (0.58) | CA12CA1CA2CA9CA14 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316500-B1 | FOR USE IN FOOD, BEVERAGE, COSMETIC, AGRICHEMICAL AND TOPICALLY APPLIED PHARMACEUTICAL FORMULATION FOR PREVENTING MICROORGANISM OR FUNGUS GROWTH | ISP INVESTMENTS INC. | 2001-11-13 | — | — | US | disclosed |
| WO-2000040544-A1 | ALIPHATICALLY UNSATURATED HYDROXY BENZOATES AND PRESERVATIVE COMPOSITIONS THEREOF | ISP INVESTMENTS INC. (US) | 2000-07-13 | — | — | WO | disclosed |
| EP-0320032-B1 | Pyridizinamine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-01-18 | — | — | EP | disclosed |
| US-5231184-A | Viricide intermediate | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-07-27 | — | — | US | disclosed |
| CN-1021328-C | PROCESS FOR PREPARING PYRIDAZINAMINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 1993-06-23 | — | — | CN | disclosed |
| US-5106973-A | Viricide intermediates | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-04-21 | — | — | US | disclosed |
| US-4992433-A | Viricides | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-02-12 | — | — | US | disclosed |
| EP-0320032-A1 | Pyridizinamine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-06-14 | — | — | EP | disclosed |
| CN-1033274-A | The preparation method of new Pyridazinyl amine derivative | JANSSEN PHARMACEUTICA NV (BE) | 1989-06-07 | — | — | CN | disclosed |