Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7660403 | 0.86 | SIGMAR1 (0.48) | SIGMAR1CA1CA2CA4CA9 | |
| SCHEMBL15172600 | 0.85 | ALDH1A1 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2628902 | 0.85 | SIGMAR1 (0.55) | SIGMAR1ACHECHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27799875 | 0.84 | SIGMAR1 (0.58) | SIGMAR1ACHECHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27854131 | 0.84 | SIGMAR1 (0.58) | SIGMAR1ACHECHRNB2CHRNB4CHRNA3 | |
| SCHEMBL15172611 | 0.83 | ITGB2 (0.41) | ALDH1A1KMT2A | |
| SCHEMBL27577260 | 0.81 | SIGMAR1 (0.54) | SIGMAR1ACHECHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28604348 | 0.81 | GLRA1 (0.47) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL15148269 | 0.80 | MEN1 (0.41) | SIGMAR1ALDH1A1KMT2AMEN1CYP1A2 | |
| SCHEMBL1090206 | 0.80 | SIGMAR1 (0.65) | SIGMAR1ACHECHRNB2CHRNB4CHRNA3 |
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-6469006-B1 | PARTICULARLY FOR TREATING HIV INFECTIONS | BRISTOL-MYERS SQUIBB COMPANY | 2002-10-22 | — | — | US | disclosed |