Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL28397521 | 0.90 | TSHR (0.78) | TSHRCYP2A6MAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL10616404 | 0.85 | TSHR (0.70) | TSHRCYP2A6MAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL27993001 | 0.85 | TSHR (0.70) | TSHRCYP2A6MAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL2154015 | 0.84 | TSHR (0.88) | TSHRCYP2A6MAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL27895262 | 0.84 | TSHR (0.88) | TSHRCYP2A6MAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL30929383 | 0.84 | TSHR (1.00) | TSHRCYP2A6MAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL11044747 | 0.84 | — | — | |
| Benzonitrile SCHEMBL6640 | 0.84 | — | — | |
| Benzonitrile SCHEMBL21752925 | 0.84 | — | — | |
| Benzonitrile SCHEMBL9464940 | 0.84 | TSHR (1.00) | TSHRCYP2A6MAOBMAOAALDH1A1 |
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-4983322-A | Dissolved or plasticized material of a polar solvent and a charge transfer compound comprising a polyaniline-type polymer and oxidizing dopant solute | ALLIED-SIGNAL INC. (US) | 1991-01-08 | — | — | US | claimed |
| WO-2023194870-A1 | PROCESS FOR THE PREPARATION OF PALBOCICLIB | GLENMARK LIFE SCIENCES LIMITED (IN) | 2023-10-12 | — | — | WO | disclosed |
| CN-1092213-C | Polymerisable composition, process for producing cross-linked polymers, and cross-linkable polymers | CIBA SC HOLDING INC (CH) | 2002-10-09 | — | — | CN | disclosed |
| CN-1092212-C | Polymerisable compsn. process for producing cross-linked polymrs, and cross-linkable polymers | CIBA SC HOLDING INC (CH) | 2002-10-09 | — | — | CN | disclosed |
| CN-1173884-A | Polymerisable compsn. process for producing cross-linked polymrs, and cross-linkable polymers | CIBA GEIGY AG (CH) | 1998-02-18 | — | — | CN | disclosed |
| CN-1173885-A | Polymerisable composition, process for producing cross-linked polymers, and cross-linkable polymers | CIBA GEIGY AG (CH) | 1998-02-18 | — | — | CN | disclosed |
| CN-1164224-A | Monomers and composition with can be crosslinked and crosslinked polymers | CIBA GEIGY AG (CH) | 1997-11-05 | — | — | CN | disclosed |
| EP-0234668-B1 | PREPARATION OF MIXTURES OF OCTADIENYL ESTERS OF NONATRIENOIC ACIDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-04-03 | — | — | EP | disclosed |
| EP-0094195-B1 | SOLAR ENERGY STORAGE MATERIALS | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1986-02-05 | — | — | EP | disclosed |