Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 7/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL11245549 | 0.92 | CYP19A1 (0.38) | CYP19A1KIF11NPSR1MEN1LMNA | |
| SCHEMBL28428044 | 0.83 | CYP3A4 (0.44) | CYP19A1KIF11MAPK1NPSR1L3MBTL1 | |
| SCHEMBL362964 | 0.82 | TSHR (0.43) | TSHRKCNN4MEN1KMT2A | |
| SCHEMBL11574355 | 0.81 | CYP19A1 (0.49) | CYP19A1KIF11TSHRKCNN4NPC1 | |
| SCHEMBL8120662 | 0.79 | KCNN4 (0.47) | CYP19A1KIF11KCNN4NPC1RAB9A | |
| SCHEMBL8129683 | 0.79 | KIF11 (0.41) | KIF11NPSR1TSHRMEN1LMNA | |
| SCHEMBL11575017 | 0.79 | ALDH1A1 (0.33) | TSHR | |
| SCHEMBL11492725 | 0.79 | CYP1A2 (0.48) | CYP19A1KIF11MAPK1NPSR1L3MBTL1 | |
| SCHEMBL11571703 | 0.78 | TSHR (0.47) | CYP19A1MAPK1TSHRKCNN4NPC1 | |
| SCHEMBL9067519 | 0.76 | KCNN4 (0.52) | CYP19A1KIF11MAPK1NPSR1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4467102-A | RACEMIC MODIFICATION WITH BRUCINE | UBE INDUSTRIES, LTD. (JP) | 1984-08-21 | — | — | US | disclosed |
| US-4082813-A | 3-Ioda-α-ethynyl benzhydrol | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1978-04-04 | — | — | US | disclosed |
| US-4066709-A | α-Ethyny benzhydrols | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1978-01-03 | — | — | US | disclosed |
| US-3965179-A | BLOCKING, VIRICIDE, FUNGICIDE | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1976-06-22 | — | — | US | disclosed |