Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ARG1 | P05089 | 1/20 | 0.35 |
| ▸ | ARG2 | P78540 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL12156801 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| Hydrochloric Acid SCHEMBL27835845 | 0.98 | ALDH1A1 (0.39) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL12662196 | 0.91 | FDPS (0.43) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| Hydrochloric Acid SCHEMBL5195847 | 0.89 | FDPS (0.41) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL12661979 | 0.88 | ARG1 (0.41) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL3258261 | 0.86 | ALDH1A1 (0.41) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL5192036 | 0.84 | SMPD1 (0.43) | MEN1KMT2AFDPSLMNAARG1 | |
| Hydrochloric Acid SCHEMBL1273805 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL12506357 | 0.83 | FDPS (0.39) | ALDH1A1MEN1KMT2AFDPSLMNA | |
| SCHEMBL14082759 | 0.79 | CYP2C19 (0.33) | ALDH1A1FDPSLMNAHSD17B10POLB |
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-8420597-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2013-04-16 | — | — | US | disclosed |