Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27601298 | 0.90 | TSHR (0.59) | TSHRHSD17B10MGLLCYP2A6GRM2 | |
| Benzonitrile SCHEMBL27895198 | 0.88 | TSHR (0.67) | TSHRHSD17B10MGLLCYP2A6ALDH1A1 | |
| Benzonitrile SCHEMBL8773388 | 0.80 | SIGMAR1 (0.56) | TSHRHSD17B10MGLLALDH1A1NAAA | |
| Benzonitrile SCHEMBL8746686 | 0.80 | SIGMAR1 (0.56) | TSHRHSD17B10MGLLALDH1A1NAAA | |
| Benzonitrile SCHEMBL27368685 | 0.79 | TSHR (0.54) | TSHRHSD17B10MGLLCYP2A6ALDH1A1 | |
| Heptane SCHEMBL28237643 | 0.79 | TSHR (0.69) | TSHRHSD17B10MGLLCYP2A6ALDH1A1 | |
| Benzonitrile SCHEMBL6393592 | 0.79 | TSHR (0.54) | TSHRHSD17B10MGLLCYP2A6CES2 | |
| Benzonitrile SCHEMBL28874960 | 0.79 | TSHR (0.54) | TSHRHSD17B10CYP2A6ALDH1A1 | |
| Hexanoate SCHEMBL27512968 | 0.79 | AKR1B1 (0.55) | TSHRHSD17B10ALDH1A1CES2CES1 | |
| Benzonitrile SCHEMBL11429781 | 0.78 | EPHX1 (0.56) | TSHRHSD17B10MGLLALDH1A1NAAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1871309-A | Heat-stable diketopyrrolopyrrole pigment mixtures | CIBA SC HOLDING AG (CH) | 2006-11-29 | — | — | CN | disclosed |