Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.45 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23360634 | 0.78 | NPC1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL13198295 | 0.75 | RAB9A (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL18741279 | 0.75 | RAB9A (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL9465324 | 0.74 | RAB9A (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL19961708 | 0.72 | NPC1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4971498 | 0.71 | JAK1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL2074140 | 0.71 | HSD17B10 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL27696527 | 0.71 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL18320425 | 0.71 | NPC1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL19587018 | 0.70 | MAPK1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017063966-A1 | SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-BENZOTHIAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-04-20 | — | — | WO | disclosed |
| WO-2017063966-A1 | SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-BENZOTHIAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-04-20 | — | — | WO | disclosed |
| WO-2016202759-A1 | CYTOTOXIC SUBSTITUTED 2-(1 H-PYRAZOL-1 -YL)-1,3-BENZOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-12-22 | — | — | WO | disclosed |
| WO-2016202759-A1 | CYTOTOXIC SUBSTITUTED 2-(1 H-PYRAZOL-1 -YL)-1,3-BENZOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-12-22 | — | — | WO | disclosed |
| WO-2016202759-A1 | CYTOTOXIC SUBSTITUTED 2-(1 H-PYRAZOL-1 -YL)-1,3-BENZOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-12-22 | — | — | WO | disclosed |
| WO-2016202758-A1 | SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-1H-BENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-12-22 | — | — | WO | disclosed |
| WO-2007129169-A2 | COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL | PFIZER LIMITED (GB) | 2007-11-15 | — | — | WO | disclosed |