Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31575774 | 0.82 | ALDH1A1 (0.51) | GAATSHRALDH1A1LMNAHPGD | |
| SCHEMBL155518 | 0.81 | MLYCD (0.58) | GAATSHRALDH1A1LMNAHPGD | |
| SCHEMBL29772431 | 0.81 | MLYCD (0.58) | GAATSHRALDH1A1LMNAHPGD | |
| SCHEMBL24998749 | 0.81 | MLYCD (0.58) | GAATSHRALDH1A1LMNAHPGD | |
| SCHEMBL13841481 | 0.81 | GAA (0.50) | GAATSHRALDH1A1LMNAHPGD | |
| SCHEMBL28273516 | 0.81 | HPGD (0.50) | GAATSHRALDH1A1LMNAHPGD | |
| SCHEMBL27822263 | 0.81 | ALDH1A1 (0.53) | GAATSHRALDH1A1LMNAHPGD | |
| SCHEMBL8698619 | 0.79 | LMNA (0.53) | GAATSHRALDH1A1LMNAHPGD | |
| SCHEMBL712573 | 0.79 | GAA (0.56) | GAATSHRALDH1A1LMNAHPGD | |
| SCHEMBL28680553 | 0.79 | GAA (0.49) | GAATSHRALDH1A1LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-110382490-A | Quinazoline compounds and preparation method thereof, purposes and pharmaceutical composition | 中国医学科学院药物研究所 | 2019-10-25 | — | — | CN | disclosed |
| CN-105916843-B | Octahydrocyclopenta [ c ] pyrrole selective NR2B negative regulator | 科登特治疗公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-110167935-A | The propionic acid that 3- as α V integrin inhibitors is substituted | 百时美施贵宝公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-108484454-A | A method of sulfonyl fluoride compound is prepared by carbon-hydrogen bond activation | 武汉理工大学 | 2018-09-04 | — | — | CN | disclosed |
| CN-108239074-A | Quinazoline compounds and preparation method thereof, purposes and pharmaceutical composition | 中国医学科学院药物研究所 | 2018-07-03 | — | — | CN | disclosed |
| CN-108239075-A | Quinazoline compounds and preparation method thereof, purposes and pharmaceutical composition | 中国医学科学院药物研究所 | 2018-07-03 | — | — | CN | disclosed |
| CN-108239076-A | Quinazoline compounds and preparation method thereof, purposes and pharmaceutical composition | 中国医学科学院药物研究所 | 2018-07-03 | — | — | CN | disclosed |
| CN-107216336-A | Camptothecine compounds and its preparation and use | 李雨亮 | 2017-09-29 | — | — | CN | disclosed |
| CN-107108601-A | Glycosidase inhibitor | 阿森纽荣股份公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-105916843-A | Octahydrocyclopenta [ c ] pyrrole selective NR2B negative regulator | 吕克疗法股份有限公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-102459242-B | Phenoxymethyl heterocyclic compounds | FORUM PHARMACEUTICALS INC. (US) | 2015-08-26 | — | — | CN | disclosed |
| CN-104520296-A | Pyrrolopyridinone derivatives as TTX-S blockers | RAQUALIA PHARMA INC | 2015-04-15 | — | — | CN | disclosed |
| CN-102131801-B | 1, 2 disubstituted heterocyclic compounds | FORUM PHARMACEUTICALS INC | 2015-04-08 | — | — | CN | disclosed |
| EP-0906268-A1 | ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS | HOECHST MARION ROUSSEL, INC. (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997045397-A1 | ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS | HOECHST MARION ROUSSEL, INC. (US) | 1997-12-04 | — | — | WO | disclosed |