Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4722955 | 0.72 | NR3C1 (0.43) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9688889 | 0.65 | EDNRA (0.34) | ALDH1A1TSHRKDM1AMAOAMAOB | |
| 1,2-Dimethoxybenzene SCHEMBL27452731 | 0.65 | CA1 (0.93) | CA1CA2CA7CA9CA12 | |
| SCHEMBL30056324 | 0.64 | SLC6A2 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28415327 | 0.64 | SLC6A2 (0.46) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL105872 | 0.62 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL29351917 | 0.62 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL5308636 | 0.62 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9870482 | 0.61 | ABCB1 (0.64) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL9793057 | 0.60 | CA1 (0.93) | CA1CA2CA7CA9CA12 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014108526-A1 | SYNTHETIC PROCESS FOR THE MANUFACTURE OF PIPECOLIDEPSIN COMPOUNDS | PHARMA MAR, S.A. (ES) | 2014-07-17 | — | — | WO | disclosed |
| EP-1711617-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-10-18 | — | — | EP | disclosed |
| EP-1663254-A2 | ANTI-INFLAMATORY PHOSPHONATE CONJUGATES | GILEAD SCIENCES, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-1628685-A2 | ANTIVIRAL PHOSPHONATE ANALOGS | GILEAD SCIENCES, INC. (US) | 2006-03-01 | — | — | EP | disclosed |
| EP-1620110-A2 | IMMUNOMODULATOR PHOSPHONATE CONJUGATES | GILEAD SCIENCES, INC. (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2005064008-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-07-14 | — | — | WO | disclosed |
| WO-2004100960-A2 | ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2004-11-25 | — | — | WO | disclosed |
| WO-2004096286-A2 | ANTIVIRAL PHOSPHONATE ANALOGS | GILEAD SCIENCES, INC. (US) | 2004-11-11 | — | — | WO | disclosed |
| WO-2004096236-A2 | IMMUNOMODULATOR PHOSPHONATE CONJUGATES | GILEAD SCIENCES, INC. (US) | 2004-11-11 | — | — | WO | disclosed |
| WO-1998016537-A1 | NOVEL COMPOUNDS | ASTRA AKTIEBOLAG (PUBL) (SE) | 1998-04-23 | — | — | WO | disclosed |