Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | MGLL | Q99685 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL27368685 | 0.90 | TSHR (0.54) | TSHRHSD17B10CYP2A6MAOBMAOA | |
| Benzonitrile SCHEMBL28874960 | 0.90 | TSHR (0.54) | TSHRHSD17B10CYP2A6MAOAALDH1A1 | |
| Benzonitrile SCHEMBL6393592 | 0.90 | TSHR (0.54) | TSHRHSD17B10CYP2A6MAOBMAOA | |
| Benzonitrile SCHEMBL28327387 | 0.88 | TSHR (0.52) | TSHRHSD17B10CYP2A6MAOBLTA4H | |
| Benzonitrile SCHEMBL28758173 | 0.88 | TSHR (0.52) | TSHRHSD17B10CYP2A6MGLLALDH1A1 | |
| Benzonitrile SCHEMBL28397521 | 0.87 | TSHR (0.78) | TSHRHSD17B10CYP2A6MAOBMAOA | |
| Benzonitrile SCHEMBL8773388 | 0.87 | SIGMAR1 (0.56) | TSHRHSD17B10MGLLALDH1A1 | |
| Benzonitrile SCHEMBL8746686 | 0.87 | SIGMAR1 (0.56) | TSHRHSD17B10MGLLALDH1A1 | |
| Benzonitrile SCHEMBL8746681 | 0.86 | TSHR (0.54) | TSHRHSD17B10CYP2A6MGLLDRD2 | |
| Heptane SCHEMBL28237643 | 0.86 | TSHR (0.69) | TSHRHSD17B10CYP2A6MAOBMAOA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106471007-B | Metal complex and the light-emitting component for having used it | 住友化学株式会社 | 2019-05-28 | — | — | CN | disclosed |
| CN-106471007-A | Metal complex and the light-emitting component employing it | 住友化学株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-103333275-A | Polymers functionalized with nitrile compounds containing a protected amino group | BRIDGESTONE CORP | 2013-10-02 | — | — | CN | disclosed |
| CN-102361887-B | Polymers functionalized with nitrile compounds containing a protected amino group | BRIDGESTONE CORP | 2013-06-26 | — | — | CN | disclosed |
| CN-103025816-A | Polymers functionalized with nitrile compounds containing a protected amino group | BRIDGESTONE CORP | 2013-04-03 | — | — | CN | disclosed |