Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.66 |
| ▸ | TSHR | P16473 | 4/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
| ▸ | NPY2R | P49146 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17978239 | 0.94 | TDP1 (0.67) | ALDH1A1TSHRTDP1LMNAADRB2 | |
| SCHEMBL29449291 | 0.94 | TDP1 (0.67) | ALDH1A1TSHRTDP1LMNAADRB2 | |
| SCHEMBL113328 | 0.94 | TDP1 (0.67) | ALDH1A1TSHRTDP1LMNAADRB2 | |
| SCHEMBL27784225 | 0.91 | TSHR (0.80) | ALDH1A1TSHRTDP1LMNAHTT | |
| SCHEMBL39110 | 0.91 | ALDH1A1 (0.79) | ALDH1A1TSHRTDP1LMNAADRB2 | |
| SCHEMBL14763796 | 0.91 | ALDH1A1 (0.79) | ALDH1A1TSHRTDP1LMNAADRB2 | |
| SCHEMBL30163245 | 0.91 | ALDH1A1 (0.79) | ALDH1A1TSHRTDP1LMNAADRB2 | |
| SCHEMBL27959032 | 0.89 | ALDH1A1 (0.77) | ALDH1A1TSHRTDP1LMNAADRB2 | |
| Bicarbonate SCHEMBL30726263 | 0.88 | ALDH1A1 (0.74) | ALDH1A1TSHRTDP1LMNAADRB2 | |
| 2-Hydroxybenzoic Acid Butyl Ester SCHEMBL1871337 | 0.86 | TSHR (0.65) | ALDH1A1TSHRTDP1LMNAADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007038524-A2 | COCRYSTALLIZATION METHODS | SSCI, INC. (US) | 2007-04-05 | — | — | WO | disclosed |