Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP12 | P39900 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14167399 | 0.98 | TSHR (0.60) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL11225216 | 0.93 | TSHR (0.59) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL7918899 | 0.91 | ALDH1A1 (0.68) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL27380062 | 0.88 | ALDH1A1 (0.59) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL27747624 | 0.86 | ALDH1A1 (0.64) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL4627248 | 0.84 | TSHR (0.66) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL27906903 | 0.83 | ALDH1A1 (0.65) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL14452075 | 0.83 | ALDH1A1 (0.65) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL27906900 | 0.83 | ALDH1A1 (0.65) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL14106874 | 0.83 | ALDH1A1 (0.65) | TSHRALDH1A1LMNATP53CYP3A4 |
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-2016202894-A1 | METHOD OF CONVERTING ALCOHOL TO HALIDE | UNIVERSITAET DES SAARLANDES (DE) | 2016-12-22 | — | — | WO | disclosed |