Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10984012 | 0.78 | ALDH1A1 (0.47) | TSHRTP53ATML3MBTL1CYP3A4 | |
| SCHEMBL9297344 | 0.72 | TP53 (0.44) | TSHRTP53ATML3MBTL1CYP3A4 | |
| SCHEMBL10987013 | 0.70 | NPC1 (0.51) | TSHRTP53ATML3MBTL1CYP3A4 | |
| SCHEMBL10672713 | 0.69 | SLC6A2 (0.46) | L3MBTL1CYP3A4SLC6A2SLC6A4CYP2D6 | |
| SCHEMBL11003393 | 0.69 | PYCR1 (0.51) | TP53ATML3MBTL1CYP3A4LMNA | |
| SCHEMBL11173418 | 0.68 | IDO1 (0.47) | TP53CYP3A4LMNASLC6A2SLC6A4 | |
| SCHEMBL3065407 | 0.68 | NOS3 (0.54) | TSHRTP53CYP3A4 | |
| SCHEMBL5644342 | 0.66 | SLC6A2 (0.55) | ATMSLC6A2SLC6A4 | |
| SCHEMBL27665039 | 0.66 | TP53 (0.43) | TSHRTP53AGTR2ATML3MBTL1 | |
| SCHEMBL11875302 | 0.66 | TAS1R3 (0.35) | TP53CYP3A4LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5834514-A | INHIBITORS OF INTERLEUKIN-1B CONVERTING ENZYME, TREATMENT OF INFLAMMATORY AND IMMUNE BASED DISEASES OF THE LUNGS, CENTRAL NERVOUS SYSTEM AND CONNECTIVE TISSUES | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-11-10 | — | — | US | claimed |