Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15328793 | 0.89 | CHRM2 (0.34) | NFKB1CHRM2CHRM1CHRM3 | |
| SCHEMBL28147671 | 0.77 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6125628 | 0.76 | GPR119 (0.34) | SLC6A2SLC6A4SLC6A3GABRA1TSHR | |
| SCHEMBL135183 | 0.76 | HSD11B1 (0.42) | SLC6A2SLC6A4SLC6A3GABRA1TSHR | |
| SCHEMBL29261903 | 0.76 | GABRA1 (0.32) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| SCHEMBL15021681 | 0.74 | SLC6A4 (0.32) | SLC6A2SLC6A4SLC6A3GABRA1TSHR | |
| SCHEMBL13144562 | 0.74 | SLC6A4 (0.38) | SLC6A2SLC6A4SLC6A3CHRM3 | |
| Hydrochloric Acid SCHEMBL8054576 | 0.74 | HSD11B1 (0.41) | SLC6A2SLC6A4SLC6A3GABRA1TSHR | |
| Hydrochloric Acid SCHEMBL18824762 | 0.74 | HSD11B1 (0.41) | SLC6A2SLC6A4SLC6A3GABRA1TSHR | |
| SCHEMBL27740053 | 0.73 | SLC6A4 (0.38) | SLC6A2SLC6A4SLC6A3TSHR |
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-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |