Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6916478 | 0.98 | SIGMAR1 (0.49) | SIGMAR1SLC6A4SLC6A2ALDH1A1TSHR | |
| SCHEMBL125255 | 0.82 | ALDH1A1 (0.57) | SLC6A4SLC6A2ALDH1A1TSHRKDM4E | |
| SCHEMBL29729780 | 0.82 | ALDH1A1 (0.57) | SLC6A4SLC6A2ALDH1A1TSHRKDM4E | |
| SCHEMBL11270512 | 0.77 | TSHR (0.48) | SIGMAR1ALDH1A1TSHRKDM4EMEN1 | |
| SCHEMBL3056915 | 0.77 | TAAR1 (0.59) | SIGMAR1TAAR1IDO1 | |
| SCHEMBL22711482 | 0.76 | SLC6A4 (0.49) | SLC6A4SLC6A2ALDH1A1TSHRKDM4E | |
| SCHEMBL6045290 | 0.76 | TAAR1 (0.46) | SIGMAR1SLC6A4SLC6A2CYP2D6CYP2C19 | |
| SCHEMBL11259775 | 0.76 | SIGMAR1 (0.46) | SIGMAR1SLC6A4SLC6A2TSHRCYP3A4 | |
| SCHEMBL322185 | 0.76 | NPC1 (0.46) | SIGMAR1ALDH1A1KDM4EMEN1CYP2D6 | |
| Water SCHEMBL27915649 | 0.74 | SLC6A4 (0.46) | SLC6A4SLC6A2ALDH1A1TSHRKDM4E |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0165630-B1 | METHOD OF PREPARING A CHLORINATED, BROMINATED, RADIOBROMINATED, IODINATED AND/OR RADIOIODINATED, AROMATIC OR HETEROAROMATIC COMPOUND, AS WELL AS A KIT FOR PREPARING A DIAGNOSTIC COMPOSITION ON THE BASIS OF THIS COMPOUND | MALLINCKRODT, INC.(a Missouri corporation) (US) | 1989-10-18 | — | — | EP | claimed |
| EP-0165630-A2 | Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound | MALLINCKRODT, INC.(a Missouri corporation) (US) | 1985-12-27 | — | — | EP | claimed |
| EP-3696174-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2020-08-19 | — | — | EP | disclosed |
| EP-3012250-B1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2017-11-08 | — | — | EP | disclosed |
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| CN-102850156-B | A kind of method of synthesizing adjacent amino two aryl oxides and the amino two fragrant thioethers of neighbour | NANJING NORMAL UNIVERSITY (CN) | 2015-12-16 | — | — | CN | disclosed |
| EP-2774925-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2014-09-10 | — | — | EP | disclosed |
| EP-2395002-B1 | PHARMACEUTICAL COMPOSITION CONTAINING A HETEROCYCLIC MODULATOR OF ATP-BINDING CASSETTE TRANSPORTERS. | VERTEX PHARMA (US) | 2014-06-18 | — | — | EP | disclosed |
| EP-2404919-B1 | Heterocyclic compound useful as a modulator of ATP-binding cassette transporters. | VERTEX PHARMA (US) | 2013-08-21 | — | — | EP | disclosed |
| EP-2395002-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2011-12-14 | — | — | EP | disclosed |
| EP-0496548-A1 | Carbacyclin analogs | PURDUE RESEARCH FOUNDATION (US) | 1992-07-29 | — | — | EP | disclosed |
| US-5021220-A | Haluaromatic compound, water-soluble acid, copper salt acid-stable reducing agent | MALLINCKRODT, INC. (US) | 1991-06-04 | — | — | US | disclosed |
| US-H890-H | Herbicidal heterocyclicbenzylsulfonamides | Rorer, Morris P. (US) | 1991-02-05 | — | — | US | disclosed |
| US-4942231-A | CATALYTIC HALOGENATION IN THE PRESENCE OF A REDUCING AGENT AND ACID MEDIUM | MALLINCKRODT, INC. (US) | 1990-07-17 | — | — | US | disclosed |
| US-4699649-A | Herbicidal heterocyclicbenzylsulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-10-13 | — | — | US | disclosed |
| EP-0165630-A2 | Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound | MALLINCKRODT, INC.(a Missouri corporation) (US) | 1985-12-27 | — | — | EP | disclosed |
| EP-0164268-A2 | Herbicidal sulfonamides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-12-11 | — | — | EP | disclosed |