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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL7441999 | 0.92 | ALDH1A1 (0.62) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL4118643 | 0.84 | CA12 (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11573760 | 0.83 | DPP4 (0.58) | ALDH1A1SIGMAR1HDAC3HDAC1HDAC2 | |
| SCHEMBL13383268 | 0.82 | CA1 (0.60) | ALDH1A1CA1CA2SIGMAR1MEN1 | |
| SCHEMBL13563342 | 0.81 | MAPT (0.63) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7348869 | 0.81 | ALDH1A1 (0.61) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6847760 | 0.81 | ALDH1A1 (0.62) | ALDH1A1CA1CA9SIGMAR1HDAC3 | |
| SCHEMBL9674448 | 0.81 | NPC1 (0.68) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL4126015 | 0.80 | HPGD (0.60) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4126030 | 0.80 | CA12 (0.51) | ALDH1A1CA12CA1CA2CA9 |
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 | ALDH1A1 99/4885CA12 3039/4885CA1 2629/4885 |
| US-20090156833-A1 | Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols | CYP2S1, AKR1C3, ADSL | ALDH1A1 122/4885CA12 1761/4885CA1 1994/4885 |
“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.