Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6752122 | 0.94 | IDO1 (0.46) | IDO1LMNAFFAR1ESR2CA12 | |
| SCHEMBL600669 | 0.93 | CA12 (0.46) | IDO1FFAR1ESR2CA12CA1 | |
| SCHEMBL17966112 | 0.93 | CA12 (0.46) | IDO1FFAR1ESR2CA12CA1 | |
| SCHEMBL17966102 | 0.93 | CA12 (0.46) | IDO1FFAR1ESR2CA12CA1 | |
| SCHEMBL7591237 | 0.93 | CA12 (0.46) | IDO1FFAR1ESR2CA12CA1 | |
| SCHEMBL1491311 | 0.88 | CA1 (0.46) | IDO1CYP19A1CYP11B1CYP11B2FFAR1 | |
| SCHEMBL8957375 | 0.81 | ESR1 (0.45) | LMNAESR2CA12CA1CA2 | |
| SCHEMBL10595320 | 0.81 | POLB (0.46) | CYP19A1CYP11B1CYP11B2NPC1CA12 | |
| SCHEMBL3025585 | 0.81 | RARB (0.49) | ESR2CA12CA1CA2CA4 | |
| SCHEMBL8957360 | 0.79 | CALM1 (0.50) | NPC1RAB9ACA12CA1CA2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107412781-A | Self assembly drug-loading system of ortho-nitrophenyl propionic acid taxol conjugate and its preparation method and application | 北京大学 | 2017-12-01 | — | — | CN | claimed |
| EP-0689435-A1 | USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1996-01-03 | — | — | EP | claimed |
| WO-1994021248-A1 | USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1994-09-29 | — | — | WO | claimed |
| CN-107412781-A | Self assembly drug-loading system of ortho-nitrophenyl propionic acid taxol conjugate and its preparation method and application | 北京大学 | 2017-12-01 | — | — | CN | disclosed |
| CN-102584801-A | One-pot asymmetric synthesis process of HIV reverse transcriptase inhibitor efavirenz compounds | SHANGHAI INST ORGANIC CHEM | 2012-07-18 | — | — | CN | disclosed |
| CN-1331601-C | Method of Chiral alkamine ligand used as catalyst of asymmetric addition process for terminal alkyne to fluoroalkylaryl ketone | SHANGHAI INST ORGANIC CHEM (CN) | 2007-08-15 | — | — | CN | disclosed |
| CN-1216036-C | Chiral alkamine ligand and its application in asymmetrical addition of terminal alkyne para imine | SHANGHAI INST ORGANIC CHEM (CN) | 2005-08-24 | — | — | CN | disclosed |
| CN-1449865-A | Method of Chiral alkamine ligand used as catalyst of asymmetric addition process for terminal alkyne to fluoroalkylaryl ketone | SHANGHAI INST ORGANIC CHEM (CN) | 2003-10-22 | — | — | CN | disclosed |
| CN-1442403-A | Chiral alkamine ligand and its application in asymmetrical addition of terminal alkyne para imine | SHANGHAI INST ORGANIC CHEM (CN) | 2003-09-17 | — | — | CN | disclosed |
| CN-1029684-C | Process for preparing dynophine derivative | EISAI CO LTD (JP) | 1995-09-06 | — | — | CN | disclosed |
| US-5049694-A | Cardiovascular disorders | CEDONA PHARMACEUTICALS B.V. (NL) | 1991-09-17 | — | — | US | disclosed |
| EP-0359335-A2 | Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance | CEDONA PHARMACEUTICALS B.V. (NL) | 1990-03-21 | — | — | EP | disclosed |
| CN-85109722-A | Process for producing Dinorfene (DYNOPHINE) derivatives | — | 1986-10-08 | — | — | CN | disclosed |