Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | PLEC | Q15149 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 10/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.39 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30829688 | 1.00 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAMAPTTHRB | |
| SCHEMBL29624972 | 0.84 | LMNA (0.53) | ALDH1A1KDM4EGAAMAPTTHRB | |
| SCHEMBL20345719 | 0.84 | LMNA (0.53) | ALDH1A1KDM4EGAAMAPTTHRB | |
| SCHEMBL23963004 | 0.80 | HDAC1 (0.50) | ALDH1A1KDM4EGAAMAPTTHRB | |
| SCHEMBL8693896 | 0.79 | HDAC1 (0.42) | ALDH1A1KDM4EGAAMAPTTHRB | |
| SCHEMBL14878651 | 0.79 | GAA (0.58) | ALDH1A1KDM4EGAAMAPTTHRB | |
| SCHEMBL1116575 | 0.79 | PKM (0.47) | ALDH1A1KDM4EGAAMAPTHTT | |
| SCHEMBL880841 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPTHTTLMNA | |
| SCHEMBL2722710 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4EGAAMAPTTHRB | |
| SCHEMBL11543987 | 0.78 | MAPT (0.56) | ALDH1A1KDM4EGAAMAPTTHRB |
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 |
|---|---|---|---|---|---|---|---|
| US-9718817-B2 | Aryl and heteroaryl ether compounds as ROR gamma modulators | GLENMARK PHARMACEUTICALS S.A. (CH) | 2017-08-01 | — | — | US | disclosed |
| EP-3131880-A1 | ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2017-02-22 | — | — | EP | disclosed |
| US-20170022195-A1 | ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2017-01-26 | — | — | US | disclosed |
| WO-2015159233-A1 | ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2015-10-22 | — | — | WO | disclosed |
| US-20090099164-A1 | Phenylaminopropanol Derivatives and Methods of Their Use | WYETH (US) | 2009-04-16 | — | — | US | disclosed |
| US-7517899-B2 | Phenylaminopropanol derivatives and methods of their use | WYETH (US) | 2009-04-14 | — | — | US | disclosed |
| US-20090093469-A1 | Phenylaminopropanol Derivatives and Methods of Their Use | WYETH (US) | 2009-04-09 | — | — | US | disclosed |
| EP-1732887-B1 | 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) | WYETH CORP (US) | 2008-01-09 | — | — | EP | disclosed |
| CN-1960973-A | 1-(1h-indol-1-yl)-3-(4-methylpiperazin-1-yl)-1-phenyl propan-2-ol derivatives and related compounds as modulators of the norepinephrine(NE) and the serotonine(5-HT) activity and the monoamine reuptake | WYETH CORP (US) | 2007-05-09 | — | — | CN | disclosed |
| US-20050222148-A1 | Phenylaminopropanol derivatives and methods of their use | WYETH (US) | 2005-10-06 | — | — | US | disclosed |
| US-4782050-A | BACTERICIDES | PFIZER INC. (US) | 1988-11-01 | — | — | US | disclosed |
| EP-0276942-A1 | 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof | PFIZER INC. (US) | 1988-08-03 | — | — | EP | 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 (4 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-20090099164-A1 | Phenylaminopropanol Derivatives and Methods of Their Use | PAH, PNMT, COMT | ALDH1A1 284/4885KDM4E 1254/4885GAA 656/4885 |
| US-20050222148-A1 | Phenylaminopropanol derivatives and methods of their use | PAH, PNMT, COMT | ALDH1A1 284/4885KDM4E 1254/4885GAA 656/4885 |
| US-20170022195-A1 | ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS | RORB, RORA, RORC | ALDH1A1 1250/4885KDM4E 2553/4885GAA 3430/4885 |
| US-20090093469-A1 | Phenylaminopropanol Derivatives and Methods of Their Use | PAH, PNMT, COMT | ALDH1A1 284/4885KDM4E 1254/4885GAA 656/4885 |
“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.