Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11862519 | 0.80 | TAAR1 (0.43) | TAAR1ALDH1A1MAPTPOLBTHRB | |
| SCHEMBL3125997 | 0.78 | TAAR1 (0.63) | TAAR1ALDH1A1MAPTPOLBTHRB | |
| SCHEMBL8416454 | 0.78 | TYR (0.40) | TAAR1ALDH1A1MAPTPOLBTHRB | |
| SCHEMBL6299246 | 0.77 | IDO1 (0.39) | ALDH1A1MAPTKMT2ACYP2A6TDP1 | |
| SCHEMBL18231539 | 0.76 | MAPT (0.39) | TAAR1ALDH1A1MAPTPOLBTHRB | |
| SCHEMBL6537098 | 0.76 | IDO1 (0.42) | TAAR1ALDH1A1THRBAMY1ACYP2A6 | |
| SCHEMBL16974976 | 0.75 | TAAR1 (0.39) | TAAR1ALDH1A1MAPTPOLBTHRB | |
| SCHEMBL11272694 | 0.75 | TYR (0.43) | TAAR1ALDH1A1MAPTTHRBNPSR1 | |
| SCHEMBL11853446 | 0.74 | TAAR1 (0.42) | TAAR1ALDH1A1MAPTPOLBNPSR1 | |
| SCHEMBL27628977 | 0.74 | AMY1A (0.39) | TAAR1ALDH1A1KMT2AAMY1ACYP2A6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6942966-B1 | libraries formed by permutations; combinatorial chemistry; drug screening | ISIS PHARMACEUTICALS, INC. (US) | 2005-09-13 | — | — | US | disclosed |
| US-6559303-B1 | Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical | ISIS PHARMACEUTICALS, INC. | 2003-05-06 | — | — | US | disclosed |
| US-6329523-B1 | FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS | ISIS PHARMACEUTICALS, INC. | 2001-12-11 | — | — | US | disclosed |
| US-6207826-B1 | Macrocyclic compounds having nitrogen-containing linkages | ISIS PHARMACEUTICALS, INC. | 2001-03-27 | — | — | US | disclosed |
| US-6197965-B1 | POLYARYLALKYLAMINO-SUBSTITUED PYRIDINE DERIVATIVES; DRUGS, MEDICINE, DIAGNOSTICS | ISIS PHARMACEUTICALS, INC. | 2001-03-06 | — | — | US | disclosed |
| EP-0817787-A4 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS INC (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1998010286-A1 | METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS | ISIS PHARMACEUTICALS, INC. (US) | 1998-03-12 | — | — | WO | disclosed |
| EP-0817787-A1 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS, INC. (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996030377-A1 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS, INC. (US) | 1996-10-03 | — | — | WO | disclosed |