Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.74 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.74 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.55 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.55 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.55 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.55 |
| ▸ | FBP1 | P09467 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | EBP | Q15125 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5754068 | 1.00 | TSHR (0.74) | TSHRALOX15SRD5A2CYP1A2MAOB | |
| Benzoic Acid SCHEMBL18050330 | 0.92 | MAOB (0.68) | TSHRALOX15SRD5A2CYP1A2MAOB | |
| SCHEMBL69166 | 0.89 | ALDH1A1 (0.68) | TSHRALOX15SRD5A2ALDH1A1KMT2A | |
| SCHEMBL2126364 | 0.89 | ALDH1A1 (0.68) | TSHRALOX15SRD5A2ALDH1A1KMT2A | |
| SCHEMBL9339856 | 0.89 | ALDH1A1 (0.68) | TSHRALOX15SRD5A2ALDH1A1KMT2A | |
| SCHEMBL2615887 | 0.89 | ALDH1A1 (0.68) | TSHRALOX15SRD5A2ALDH1A1KMT2A | |
| SCHEMBL9681086 | 0.89 | ALDH1A1 (0.68) | TSHRALOX15SRD5A2ALDH1A1KMT2A | |
| SCHEMBL69167 | 0.89 | ALDH1A1 (0.68) | TSHRALOX15SRD5A2ALDH1A1KMT2A | |
| SCHEMBL9681088 | 0.89 | ALDH1A1 (0.68) | TSHRALOX15SRD5A2ALDH1A1KMT2A | |
| SCHEMBL9078494 | 0.89 | ALDH1A1 (0.68) | TSHRALOX15SRD5A2ALDH1A1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6982348-B2 | Aminoethanol derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-01-03 | — | — | US | disclosed |
| US-20040127574-A1 | Aminoethanol derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-07-01 | — | — | US | disclosed |
| EP-1362846-A1 | AMINOETHANOL DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2003-11-19 | — | — | EP | disclosed |
| US-5998433-A | THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-12-07 | — | — | US | disclosed |
| CN-1160403-A | Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-09-24 | — | — | CN | disclosed |
| EP-0785939-A1 | SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011201-A1 | SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-04-18 | — | — | WO | 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 (1 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-20040127574-A1 | Aminoethanol derivatives | CETP, LCAT, MTTP | TSHR 3729/4885ALOX15 1837/4885SRD5A2 349/4885 |
“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.