Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL787024 | 0.80 | ESR1 (0.56) | CA12CA9ESR2ESR1TDP1 | |
| SCHEMBL26205026 | 0.80 | ESR2 (0.62) | CYP1A2CA12MCL1CA9NPC1 | |
| SCHEMBL26205152 | 0.78 | ESR2 (0.60) | CYP1A2CA12MCL1CA9NPC1 | |
| SCHEMBL769280 | 0.78 | ALOX15 (0.55) | CYP3A4HSD17B10TDP1ALOX15TSHR | |
| SCHEMBL26205150 | 0.78 | CYP1A2 (0.61) | CYP1A2MCL1MIFNPC1ESR2 | |
| SCHEMBL30083328 | 0.77 | ALOX15 (0.60) | HSD17B10TDP1ALOX15TSHRHIF1A | |
| SCHEMBL103 | 0.77 | ALOX15 (0.60) | HSD17B10TDP1ALOX15TSHRHIF1A | |
| SCHEMBL9856829 | 0.75 | CYP1A2 (0.52) | CYP1A2CA12CA9MIFTDP1 | |
| SCHEMBL26205024 | 0.75 | ESR2 (0.75) | CYP1A2MCL1CA9NPC1ESR2 | |
| SCHEMBL23371164 | 0.75 | CYP1A2 (0.56) | CYP1A2ESR2ESR1CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4351842-A | N-Cyclopropylisoindolines | GLAXO LABORATORIES LIMITED (GB) | 1982-09-28 | — | — | US | disclosed |