Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CPA1 | P15085 | 1/20 | 0.44 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033883 | 0.87 | SRR (0.50) | CYP1A2ALDH1A1TSHRSRRPTGS1 | |
| SCHEMBL29033881 | 0.87 | SRR (0.50) | CYP1A2ALDH1A1TSHRSRRPTGS1 | |
| SCHEMBL1833635 | 0.85 | TRPA1 (0.55) | TRPA1CYP1A2EPHX1TSHRSRR | |
| Ammonia Solution, Strong SCHEMBL29021310 | 0.82 | TRPA1 (0.53) | TRPA1CYP1A2EPHX1TSHRSRR | |
| SCHEMBL3091836 | 0.80 | TRPA1 (0.52) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL5105980 | 0.80 | TRPA1 (0.52) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL3091848 | 0.80 | TRPA1 (0.52) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL22467712 | 0.79 | TAAR1 (0.48) | CYP1A2ALDH1A1SLC7A5SLC6A2TAAR1 | |
| SCHEMBL27548985 | 0.79 | TRPA1 (0.43) | TRPA1CYP1A2EPHX1ALDH1A1TSHR | |
| SCHEMBL2211027 | 0.78 | TRPA1 (0.56) | TRPA1CYP1A2EPHX1TSHRSRR |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6184323-B1 | FOR OPHTHALMIC LENSES | ESSILOR INTERNATIONAL-COMPAGNIE GENERALE D'OPTIQUE (FR) | 2001-02-06 | — | — | US | claimed |
| EP-0745621-B1 | Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optical use | ESSILOR INT (FR) | 1998-04-15 | — | — | EP | claimed |
| US-3985808-A | SECONDARY ALCOHOLS OR HALOHYDRINS REACTED WITH A HALOGEN | LEVER BROTHERS COMPANY (US) | 1976-10-12 | — | — | US | claimed |
| US-3944568-A | Process for the preparation of selectively halogenated ketals | LEVER BROTHERS COMPANY (US) | 1976-03-16 | — | — | US | claimed |
| CN-117700374-A | Preparation method of chiral high morpholine-3-formic acid | 吉尔多肽生物制药(大连市)有限公司 | 2024-03-15 | — | — | CN | disclosed |
| EP-1723159-A2 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | Rib-X Pharmaceuticals, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005085266-A2 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2005-09-15 | — | — | WO | disclosed |
| US-20020049289-A1 | Novel (thio) (meth) acrylate monomers, intermediate compounds for the synthesis of these monomers polymerizable compositions and polymers obtained, and their optical and ophthalmic uses | ESSILOR COMPAGNIE GENERALE D'OPTIQUE | 2002-04-25 | — | — | US | disclosed |
| US-6184323-B1 | FOR OPHTHALMIC LENSES | ESSILOR INTERNATIONAL-COMPAGNIE GENERALE D'OPTIQUE (FR) | 2001-02-06 | — | — | US | disclosed |
| US-5633379-A | N-METHYLASPARTIC ACID ANTAGONIST | CIBA-GEIGY CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |
| CN-1120538-A | 3-heteroaliphatyl- and 3-hetero (aryl) aliphatyl-2(1H)-quinolone dericatives | CIBA GEIGY AG (CH) | 1996-04-17 | — | — | CN | disclosed |
| EP-0685466-A1 | 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives | CIBA-GEIGY AG (CH) | 1995-12-06 | — | — | EP | disclosed |
| EP-0099148-A1 | Piperazine derivatives, processes for their preparation and pharmaceutical preparations containing them | GIST-BROCADES N.V. (NL) | 1984-01-25 | — | — | EP | disclosed |
| US-3985808-A | SECONDARY ALCOHOLS OR HALOHYDRINS REACTED WITH A HALOGEN | LEVER BROTHERS COMPANY (US) | 1976-10-12 | — | — | US | disclosed |
| US-3944568-A | Process for the preparation of selectively halogenated ketals | LEVER BROTHERS COMPANY (US) | 1976-03-16 | — | — | US | disclosed |