Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18503067 | 0.83 | CYP1A2 (0.43) | CYP19A1HTR1AHTR7HTR2BTMEM97 | |
| SCHEMBL14062625 | 0.77 | HTR1A (0.48) | CYP19A1HTR1AHTR7HTR2BTMEM97 | |
| SCHEMBL10035139 | 0.77 | CYP19A1 (0.55) | CYP19A1HTR1AHTR7HTR2BTMEM97 | |
| SCHEMBL91867 | 0.75 | CYP19A1 (0.48) | CYP19A1HTR1AHTR7HTR2BTMEM97 | |
| SCHEMBL12154323 | 0.75 | CYP19A1 (0.48) | CYP19A1HTR1AHTR7HTR2BTMEM97 | |
| SCHEMBL15946082 | 0.72 | CYP19A1 (0.45) | CYP19A1HTR1AHTR7HTR2BTMEM97 | |
| SCHEMBL13288380 | 0.72 | CYP19A1 (0.45) | CYP19A1TAAR1GPR84KDM4EMAPT | |
| SCHEMBL21524292 | 0.72 | CYP19A1 (0.50) | CYP19A1HTR1AHTR7HTR2BTMEM97 | |
| SCHEMBL83697 | 0.71 | TAAR1 (0.40) | CYP19A1TAAR1GPR84KDM4EMAPT | |
| SCHEMBL8231432 | 0.70 | GPR84 (0.52) | CYP19A1GPR84KDM4EMAPTNPC1 |
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-20170044436-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | US | disclosed |