Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.38 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.38 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11440806 | 0.87 | CCR2 (0.40) | TSHRCRHBPCRHR2GPR35ALDH1A1 | |
| SCHEMBL11321823 | 0.86 | ALDH1A1 (0.48) | TSHRCRHBPCRHR2GPR35ALDH1A1 | |
| Potassium Ion SCHEMBL11323608 | 0.86 | CRHBP (0.38) | TSHRCRHBPCRHR2GPR35ALDH1A1 | |
| SCHEMBL8649537 | 0.78 | CYP1A2 (0.52) | TSHRGPR35ALDH1A1TDP1VCAM1 | |
| SCHEMBL11049725 | 0.78 | TSHR (0.50) | TSHRGPR35ALDH1A1TDP1VCAM1 | |
| SCHEMBL11333385 | 0.77 | VCAM1 (0.39) | TSHRGPR35ALDH1A1TDP1VCAM1 | |
| SCHEMBL11690992 | 0.77 | KIF18A (0.42) | TSHRCRHBPCRHR2ALDH1A1TDP1 | |
| SCHEMBL772344 | 0.74 | CYP1A2 (0.43) | TSHRGPR35ALDH1A1TDP1VCAM1 | |
| SCHEMBL11600578 | 0.73 | GRIN2D (0.43) | TSHRGPR35ALDH1A1TDP1VCAM1 | |
| SCHEMBL29451877 | 0.73 | TSHR (0.42) | TSHRCRHBPCRHR2GPR35ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4297127-A | PREEMERGENCE HERBICIDES | AMERICAN CYANAMID COMPANY (US) | 1981-10-27 | — | — | US | disclosed |
| US-4251264-A | 4-CYANO SUBSTITUTED | AMERICAN CYANAMID COMPANY (US) | 1981-02-17 | — | — | US | disclosed |
| US-4166908-A | SELECTIVE PREEMERGENT ACTIVITY | AMERICAN CYANAMID COMPANY (US) | 1979-09-04 | — | — | US | disclosed |
| US-4165231-A | 2,6-Dinitroaniline herbicides | AMERICAN CYANAMID COMPANY (US) | 1979-08-21 | — | — | US | disclosed |
| US-4025538-A | 2,6-Dinitroaniline herbicides | AMERICAN CYANAMID COMPANY (US) | 1977-05-24 | — | — | US | disclosed |