Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.64 |
| ▸ | ALDH3A1 | P30838 | 7/20 | 0.64 |
| ▸ | CES1 | P23141 | 5/20 | 0.64 |
| ▸ | ALDH2 | P05091 | 5/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 3/20 | 0.58 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | APAF1 | O14727 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL18954752 | 0.85 | CES1 (0.70) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL4379040 | 0.84 | KMT2A (0.56) | ALDH1A1HPGDMAPTTSHRBRD4 | |
| SCHEMBL31364464 | 0.84 | KMT2A (0.56) | ALDH1A1HPGDMAPTTSHRBRD4 | |
| SCHEMBL18954860 | 0.82 | CA1 (0.70) | — | |
| SCHEMBL10927175 | 0.80 | KMT2A (0.51) | ALDH1A1MAPTTSHRBRD4PKM | |
| Nitrogen SCHEMBL28298896 | 0.79 | ALDH1A1 (0.93) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL2087729 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL29506660 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL18974295 | 0.79 | CHRM1 (0.71) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL18974298 | 0.79 | ALDH1A1 (0.73) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017099695-A1 | N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS | ISTANBUL UNIVERSITESI REKTORLUGU (TR) | 2017-06-15 | — | — | WO | disclosed |
| WO-2017099695-A1 | N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS | ISTANBUL UNIVERSITESI REKTORLUGU (TR) | 2017-06-15 | — | — | WO | disclosed |