Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ATP4A | P20648 | 1/20 | 0.37 |
| ▸ | ATP4B | P51164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12463289 | 0.81 | ALOX15 (0.56) | TDP1ALOX15SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL3682215 | 0.79 | TDP1 (0.54) | TDP1ALOX15SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL1352508 | 0.79 | TDP1 (0.54) | TDP1ALOX15SMN1; SMN2CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL27848958 | 0.77 | TDP1 (0.52) | TDP1ALOX15SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL1352506 | 0.77 | TDP1 (0.52) | TDP1ALOX15SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL356244 | 0.77 | ALOX15 (0.52) | TDP1ALOX15SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL9508003 | 0.77 | TDP1 (0.52) | TDP1ALOX15SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL21292117 | 0.77 | SMN1; SMN2 (0.46) | TDP1ALOX15SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL16129049 | 0.77 | SMN1; SMN2 (0.46) | TDP1ALOX15SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL28578528 | 0.76 | CASP1 (0.37) | TDP1ALOX15CYP3A4TP53THRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7655688-B2 | Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-02 | — | — | US | disclosed |
| US-RE40525-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2008-09-30 | — | — | US | disclosed |