Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10824507 | 0.86 | MMP1 (0.42) | ALDH1A1TSHRKMT2AMEN1L3MBTL1 | |
| SCHEMBL30118205 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TSHRKMT2AMEN1L3MBTL1 | |
| SCHEMBL28792070 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TSHRKMT2AMEN1L3MBTL1 | |
| SCHEMBL4699693 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TSHRKMT2AMEN1L3MBTL1 | |
| SCHEMBL4710826 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHRKMT2AMEN1CYP2C19 | |
| SCHEMBL16213089 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TSHRKMT2AMEN1L3MBTL1 | |
| SCHEMBL341054 | 0.77 | CYP2C19 (0.44) | ALDH1A1TSHRKMT2AMEN1CYP2C19 | |
| SCHEMBL10959995 | 0.76 | CYP2C19 (0.36) | ALDH1A1TSHRKMT2ACYP2C19HIF1A | |
| SCHEMBL31312685 | 0.76 | CYP2C19 (0.44) | ALDH1A1TSHRKMT2AMEN1CYP2C19 | |
| SCHEMBL10959990 | 0.76 | CYP2C19 (0.36) | ALDH1A1TSHRKMT2ACYP2C19HIF1A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61001634-A | — | — | None | — | — | JP | disclosed |
| US-6476054-B1 | Cyclic amine modulators of chemokine receptor activity | MERCK & CO., INC. | 2002-11-05 | — | — | US | disclosed |
| EP-1052992-A1 | CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-11-22 | — | — | EP | disclosed |
| US-6140349-A | FOR PROPHYLAXIS AND THERAPY OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) INFECTIONS AND ACQUIRED IMMUNODEDICIENCY SYNDROME | MERCK & CO., INC. (US) | 2000-10-31 | — | — | US | disclosed |
| US-6136827-A | PIPERIDINE COMPOUNDS AS DRUGS | MERCK & CO., INC. (US) | 2000-10-24 | — | — | US | disclosed |
| EP-1003514-A1 | CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-05-31 | — | — | EP | disclosed |
| US-5962462-A | COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1999038514-A1 | CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-08-05 | — | — | WO | disclosed |
| WO-1999004794-A1 | CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-02-04 | — | — | WO | disclosed |
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| JP-S611634-A | PREPARATION OF ALPHA-PHENYL-GAMMA, DELTA-UNSATURATED ALDEHYDE | KURARAY CO LTD | 1986-01-07 | — | — | JP | disclosed |