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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.52 |
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA2 | P00918 | 6/20 | 0.52 |
| ▸ | CA9 | Q16790 | 6/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27937324 | 0.93 | MAPT (0.54) | CA12CA1CA2CA9SIGMAR1 | |
| Hydrochloric Acid SCHEMBL27337480 | 0.91 | MAPT (0.52) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL4126847 | 0.84 | ALDH1A1 (0.54) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL4126030 | 0.83 | CA12 (0.51) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL9744775 | 0.82 | TDP1 (0.62) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL3210555 | 0.81 | THRA (0.60) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL7120926 | 0.80 | HDAC3 (0.58) | MAPTTDP1LMNAKMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28760001 | 0.79 | THRA (0.59) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL754990 | 0.79 | CA12 (0.51) | CA12CA1CA2CA9SIGMAR1 | |
| Propiophenone SCHEMBL28041202 | 0.78 | MAPT (0.62) | HSD11B1L3MBTL1MAPTTDP1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8501967-B2 | Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols | LONZA AG (CH) | 2013-08-06 | — | — | US | disclosed |
| US-20120316350-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS | LONZA AG (CH) | 2012-12-13 | — | — | US | disclosed |
| US-8258338-B2 | Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols | LONZA AG (CH) | 2012-09-04 | — | — | US | disclosed |
| US-20090156833-A1 | Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols | LONZA AG (CH) | 2009-06-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120316350-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS | CYP2S1, AKR1C3, AKR1B10 | CA12 3039/4885CA1 2629/4885CA2 2156/4885 |
| US-20090156833-A1 | Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols | CYP2S1, AKR1C3, ADSL | CA12 1761/4885CA1 1994/4885CA2 1402/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.