Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28653244 | 0.80 | KIF11 (0.41) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL27081757 | 0.80 | NR3C2 (0.35) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL28953183 | 0.76 | KEAP1 (0.39) | ALDH1A1KMT2ATSHRMEN1LMNA | |
| SCHEMBL27452194 | 0.76 | CYP2D6 (0.44) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL9252948 | 0.74 | CYP2D6 (0.39) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL10838422 | 0.72 | CYP2D6 (0.46) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL10839537 | 0.72 | CYP2D6 (0.46) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL10838417 | 0.72 | CYP2D6 (0.46) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL2121346 | 0.72 | ESR1 (0.44) | CYP2C19HIF1AALDH1A1ESR1ESR2 | |
| SCHEMBL28102219 | 0.72 | ALDH1A1 (0.44) | CYP2C19HIF1AALDH1A1ESR1ESR2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109400438-B | Synthesis method of 9, 10-disubstituted phenanthrene compound | 西北大学 | 2021-07-02 | — | — | CN | claimed |
| CN-109400438-B | Synthesis method of 9, 10-disubstituted phenanthrene compound | 西北大学 | 2021-07-02 | — | — | CN | disclosed |
| CN-109400438-A | One kind 9,10- bis- replaces the synthetic method of luxuriant and rich with fragrance class compound | 西北大学 | 2019-03-01 | — | — | CN | disclosed |
| WO-2015034478-A1 | SCALE-INHIBITING COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION | HALLIBURTON ENERGY SERVICES, INC. (US) | 2015-03-12 | — | — | WO | disclosed |
| WO-2015030730-A1 | ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION | HALLIBURTON ENERGY SERVICES, INC. (US) | 2015-03-05 | — | — | WO | disclosed |
| US-8350085-B2 | Cocrystallization | NEW FORM PHARMACEUTICALS INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8212079-B2 | Cocrystallization | APTUIT (WEST LAFAYETTE), LLC (US) | 2012-07-03 | — | — | US | disclosed |
| US-20110257430-A1 | NOVEL COCRYSTALLIZATION | APTUIT (KANSAS CITY), LLC (US) | 2011-10-20 | — | — | US | disclosed |
| US-20090281195-A1 | NOVEL COCRYSTALLIZATION | S.S.C.I., INC. (US) | 2009-11-12 | — | — | US | disclosed |
| US-7452555-B2 | Cocrystallization | S.S.C.I., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20070287194-A1 | Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound | S.S.C.I., INC | 2007-12-13 | — | — | US | disclosed |
| US-20070088508-A1 | Cocrystallization methods | APTUIT (WEST LAFAYETTE), LLC | 2007-04-19 | — | — | US | disclosed |