Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | KRAS | P01116 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6313062 | 0.86 | PTGS2 (0.62) | PTGS2HTTPKMERN1KRAS | |
| SCHEMBL5231474 | 0.81 | CYP19A1 (0.49) | PTGS2HTTPKMERN1KRAS | |
| SCHEMBL4323651 | 0.81 | HTT (0.58) | PTGS2HTTPKMTDP1MAPT | |
| SCHEMBL4326715 | 0.81 | HTT (0.58) | PTGS2HTTPKMTDP1MAPT | |
| SCHEMBL1766238 | 0.78 | HTT (0.50) | PTGS2HTTPKMERN1KRAS | |
| SCHEMBL12903988 | 0.78 | PTGS2 (0.54) | PTGS2HTTPKMERN1KRAS | |
| SCHEMBL30682916 | 0.78 | HTT (0.50) | PTGS2HTTPKMERN1KRAS | |
| SCHEMBL12776963 | 0.76 | HTT (0.51) | PTGS2HTTPKMERN1KRAS | |
| SCHEMBL6314484 | 0.75 | PTGS2 (0.48) | PTGS2HTTPKMERN1KRAS | |
| SCHEMBL190398 | 0.75 | ERN1 (0.55) | PTGS2HTTPKMERN1KRAS |
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 |
|---|---|---|---|---|---|---|---|
| EP-0093914-B1 | PROCESS FOR THE PRODUCTION OF POLYCARBONATE | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1986-07-02 | — | — | EP | claimed |
| EP-0201575-B1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1992-08-12 | — | — | EP | disclosed |
| US-4686230-A | Picoline derivative useful as gastric acid secretion inhibitors | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1987-08-11 | — | — | US | disclosed |
| EP-0201575-A1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. | BYK GULDEN LOMBERG CHEM FAB (DE) | 1986-11-20 | — | — | EP | disclosed |
| WO-1986002646-A1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) | 1986-05-09 | — | — | WO | disclosed |