Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.65 |
| ▸ | THRB | P10828 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.59 |
| ▸ | FYN | P06241 | 2/20 | 0.59 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.59 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.59 |
| ▸ | HTR2A | P28223 | 2/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.59 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.59 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11401553 | 0.94 | CYP3A4 (0.65) | CYP3A4THRBLMNACYP51A1FYN | |
| SCHEMBL11389099 | 0.93 | CYP3A4 (0.62) | CYP3A4THRBLMNACYP51A1FYN | |
| SCHEMBL11384177 | 0.86 | CYP3A4 (0.73) | CYP3A4THRBLMNACYP51A1FYN | |
| SCHEMBL11380683 | 0.86 | CYP3A4 (0.59) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL11272424 | 0.86 | CYP3A4 (0.73) | CYP3A4THRBLMNACYP51A1FYN | |
| SCHEMBL11274552 | 0.84 | CYP3A4 (0.81) | CYP3A4THRBLMNACYP51A1FYN | |
| SCHEMBL11183276 | 0.83 | CYP3A4 (0.80) | CYP3A4THRBLMNACYP51A1FYN | |
| SCHEMBL11072346 | 0.83 | CYP3A4 (0.80) | CYP3A4THRBLMNACYP51A1FYN | |
| SCHEMBL11270079 | 0.83 | CYP3A4 (0.70) | CYP3A4THRBLMNACYP51A1FYN | |
| SCHEMBL11268895 | 0.83 | CYP3A4 (0.70) | CYP3A4THRBLMNACYP51A1FYN |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4268680-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-05-19 | — | — | US | disclosed |
| US-4244964-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-01-13 | — | — | US | disclosed |
| US-4232034-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1980-11-04 | — | — | US | disclosed |
| US-4229460-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-10-21 | — | — | US | disclosed |
| US-4229581-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-10-21 | — | — | US | disclosed |
| US-4160841-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1979-07-10 | — | — | US | disclosed |