Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK2 | P53671 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL17913045 | 1.00 | LIMK2 (0.58) | LIMK2ALDH1A1POLBPGRGAA | |
| SCHEMBL17913099 | 0.90 | CA12 (0.56) | LIMK2ALDH1A1KMT2APKMPRMT1 | |
| SCHEMBL17913066 | 0.89 | LIMK2 (0.60) | LIMK2ALDH1A1PGRGAATDP1 | |
| SCHEMBL17913083 | 0.82 | PGR (0.61) | LIMK2ALDH1A1PGRGAATDP1 | |
| SCHEMBL17913052 | 0.82 | PGR (0.61) | LIMK2ALDH1A1PGRGAATDP1 | |
| SCHEMBL25138688 | 0.81 | ALDH1A1 (0.85) | LIMK2ALDH1A1POLBPGRGAA | |
| SCHEMBL17913062 | 0.80 | TDP1 (0.69) | LIMK2ALDH1A1POLBPGRGAA | |
| SCHEMBL17913042 | 0.80 | ALDH1A1 (0.60) | LIMK2ALDH1A1PGRGAATDP1 | |
| SCHEMBL17913043 | 0.80 | ALDH1A1 (0.60) | LIMK2ALDH1A1PGRGAATDP1 | |
| SCHEMBL17913070 | 0.77 | PPIA (0.59) | LIMK2ALDH1A1PGRGAATDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016111658-A1 | SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY | IYIDOGAN AYSEGUL (TR) | 2016-07-14 | — | — | WO | claimed |