Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16401319 | 0.89 | TSHR (0.54) | TSHRCTSDALDH1A1GPR35KDM4E | |
| SCHEMBL10923400 | 0.85 | TDP1 (0.48) | TSHRALDH1A1GPR35MAPTTDP1 | |
| SCHEMBL16401163 | 0.84 | ALDH1A1 (0.54) | TSHRCTSDALDH1A1KDM4ELMNA | |
| SCHEMBL3258910 | 0.81 | GPR35 (0.51) | TSHRALDH1A1GPR35KDM4ELMNA | |
| SCHEMBL4745174 | 0.79 | CTSD (0.49) | TSHRCTSDALDH1A1KDM4ELMNA | |
| SCHEMBL10229496 | 0.79 | ALDH1A1 (0.44) | TSHRALDH1A1GPR35MAPTTDP1 | |
| SCHEMBL795687 | 0.78 | KDM4E (0.43) | ALDH1A1GPR35KDM4EMAPTCYP1A2 | |
| SCHEMBL11668086 | 0.78 | SMN1; SMN2 (0.42) | TSHRALDH1A1GPR35MAPTCYP3A4 | |
| SCHEMBL3335579 | 0.78 | MAPT (0.42) | TSHRALDH1A1GPR35LMNAMAPT | |
| SCHEMBL3807003 | 0.77 | KDM4E (0.45) | TSHRALDH1A1GPR35KDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-8071413-A | — | — | None | — | — | JP | disclosed |
| JP-H0871413-A | SEPARATION OF AROMATIC FLUORO-COMPOUND AND AROMATIC NITRO-COMPOUND | SEITAI KINOU KENKYUSHO:KK | 1996-03-19 | — | — | JP | disclosed |