Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 2/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5867164 | 1.00 | TP53 (0.39) | TP53METAP1HDAC7HDAC8HDAC6 | |
| SCHEMBL22097873 | 0.84 | — | — | |
| SCHEMBL1568597 | 0.84 | — | — | |
| SCHEMBL5774147 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL27630931 | 0.82 | — | — | |
| Methylamine SCHEMBL28026356 | 0.82 | TSHR (0.33) | METAP1 | |
| Phosphoric Acid SCHEMBL27582987 | 0.81 | METAP1 (0.47) | METAP1 | |
| Nitric Acid SCHEMBL27600341 | 0.78 | CA5A (0.32) | METAP1 | |
| SCHEMBL22089682 | 0.77 | CA12 (0.43) | TP53CA12CA1CA2CA7 | |
| SCHEMBL22089684 | 0.77 | CA12 (0.43) | TP53CA12CA1CA2CA7 |
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-1665760-A | Preparation of chiral amino-nitriles | PCBU SERVICES INC (US) | 2005-09-07 | — | — | CN | claimed |
| EP-1517877-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | PCBU Services, Inc. (US) | 2005-03-30 | — | — | EP | claimed |
| WO-2004002924-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | PCBU SERVICES, INC. (US) | 2004-01-08 | — | — | WO | claimed |
| CN-100357265-C | Compounds useful as intermediates of 4-aminoquinoline deravative | PFIZER PROD INC (US) | 2007-12-26 | — | — | CN | disclosed |
| CN-1972927-A | Compounds and methods for treating dyslipidemia | LILLY CO ELI (US) | 2007-05-30 | — | — | CN | disclosed |
| CN-1297541-C | Method for preparing CETP inhibitors | PFIZER PROD INC (US) | 2007-01-31 | — | — | CN | disclosed |
| CN-1267411-C | Compounds useful as intermediates for 4-aminoquinoline derivatives | PFIZER PROD INC (US) | 2006-08-02 | — | — | CN | disclosed |
| CN-1680292-A | Compounds useful as intermediates of 4-aminoquinoline deravative | PFIZER PROD INC (US) | 2005-10-12 | — | — | CN | disclosed |
| CN-1665760-A | Preparation of chiral amino-nitriles | PCBU SERVICES INC (US) | 2005-09-07 | — | — | CN | disclosed |
| CN-1529696-A | Method for preparing CETP inhibitors | �Ʒ� | 2004-09-15 | — | — | CN | disclosed |
| CN-1505609-A | Compounds useful as intermediates for 4-aminoquinoline derivatives | �Ʒ� | 2004-06-16 | — | — | CN | disclosed |
| CN-1496971-A | Method of separating 3-aminovaleric nitrile conglomerate | 拜尔公司 | 2004-05-19 | — | — | CN | disclosed |