Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27599273 | 0.93 | TSHR (0.55) | TSHRTDP1ALDH1A1LTA4HPTPN1 | |
| Biphenyl SCHEMBL28541047 | 0.91 | TSHR (0.59) | TSHRTDP1ALDH1A1LTA4HPTPN1 | |
| Biphenyl SCHEMBL28132699 | 0.91 | TSHR (0.52) | TSHRTDP1ALDH1A1LTA4HPTPN1 | |
| Biphenyl SCHEMBL27446272 | 0.89 | TSHR (0.50) | TSHRTDP1ALDH1A1LTA4HPTPN1 | |
| Biphenyl SCHEMBL27772106 | 0.87 | ALDH1A1 (0.53) | TSHRTDP1ALDH1A1HPGDSMN1; SMN2 | |
| Biphenyl SCHEMBL15347228 | 0.84 | ALDH1A1 (0.56) | TSHRALDH1A1LTA4HHPGDSMN1; SMN2 | |
| Biphenyl SCHEMBL5868585 | 0.84 | ALDH1A1 (0.56) | TSHRALDH1A1LTA4HHPGDSMN1; SMN2 | |
| Benzene SCHEMBL11781494 | 0.84 | TSHR (0.79) | TSHRTDP1ALDH1A1LTA4HSMN1; SMN2 | |
| Toluene SCHEMBL8334068 | 0.83 | TSHR (0.52) | TSHRTDP1ALDH1A1LTA4HSMN1; SMN2 | |
| Chlorobenzene SCHEMBL11850819 | 0.83 | TSHR (0.52) | TSHRTDP1ALDH1A1LTA4HSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103221404-B | Can be used as the unsaturated nitrogen heterogeneous ring compound of PDE10 inhibitor | AMGEN INC. (US) | 2015-12-16 | — | — | CN | disclosed |
| CN-103221404-A | Nitrogen heterocyclic compounds useful as PDE10 inhibitors | AMGEN INC | 2013-07-24 | — | — | CN | disclosed |