Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.38 |
| ▸ | HTR3B | O95264 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.37 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.37 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.37 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL28128879 | 0.98 | TSHR (0.41) | TSHRHTR3EHTR3BHTR3AHTR3D | |
| Isopropylbenzene SCHEMBL28129337 | 0.81 | CRHBP (0.42) | MAPTGAALMNAALDH1A1ALOX12 | |
| Chlorobenzene SCHEMBL28349421 | 0.81 | MEN1 (0.47) | TSHRMAPTPLAAT3PLAAT5PLAAT2 | |
| Fluorobenzene SCHEMBL28128810 | 0.81 | GAA (0.37) | MAPTGAAIDO1ALDH1A1HPGD | |
| Chlorobenzene SCHEMBL28239453 | 0.81 | CYP2C9 (0.52) | TSHRMAPTGAAPLAAT3PLAAT5 | |
| O-Xylene SCHEMBL29074374 | 0.80 | TSHR (0.42) | TSHRMAPTGAAALDH1A1HPGD | |
| Fluorobenzene SCHEMBL28840059 | 0.79 | IDO1 (0.38) | MAPTGAAIDO1ALDH1A1HPGD | |
| O-Xylene SCHEMBL29074411 | 0.78 | TSHR (0.40) | TSHRMAPTGAAIDO1ALDH1A1 | |
| Chlorobenzene SCHEMBL27335867 | 0.78 | TSHR (0.48) | TSHRHTR3EHTR3BHTR3AHTR3D | |
| Chlorobenzene SCHEMBL27648080 | 0.77 | TSHR (0.52) | TSHRHTR3EHTR3BHTR3AHTR3D |
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-106458868-A | Guanidine compounds and uses thereof | 伊谬诺米特医疗有限公司 | 2017-02-22 | — | — | CN | claimed |
| CN-106458868-A | Guanidine compounds and uses thereof | 伊谬诺米特医疗有限公司 | 2017-02-22 | — | — | CN | disclosed |