Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 7/20 | 0.33 |
| ▸ | MAOB | P27338 | 7/20 | 0.33 |
| ▸ | KDM1A | O60341 | 5/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16969461 | 0.87 | TSHR (0.41) | TSHRCYP2C19MEN1KMT2ASLC6A2 | |
| SCHEMBL27720544 | 0.78 | CYP2C19 (0.59) | TSHRCYP2C19MEN1KMT2ASLC6A2 | |
| SCHEMBL9217960 | 0.77 | CYP2A6 (0.44) | CYP2C19MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL15517256 | 0.73 | HTR1A (0.51) | TSHRHTR2BHTR1AKDM1ALMNA | |
| SCHEMBL15516824 | 0.70 | TSHR (0.33) | TSHR | |
| SCHEMBL4612040 | 0.67 | TSHR (0.39) | TSHRCYP2C19MEN1KMT2ASLC6A2 | |
| SCHEMBL29626010 | 0.67 | TSHR (0.39) | TSHRCYP2C19MEN1KMT2ASLC6A2 | |
| SCHEMBL15516784 | 0.66 | — | — | |
| SCHEMBL366283 | 0.65 | CYP2C19 (0.62) | TSHRCYP2C19MEN1KMT2ASLC6A2 | |
| Fluoride SCHEMBL28066844 | 0.65 | TSHR (0.94) | TSHRCYP2C19MEN1KMT2ASLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5672615-A | MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS | NOVARTIS CORPORATION (US) | 1997-09-30 | — | — | US | disclosed |
| US-5646167-A | ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT | CIBA-GEIGY CORPORATION (US) | 1997-07-08 | — | — | US | disclosed |
| WO-1996040101-A1 | CERTAIN ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACIDS FOR THE TREATMENT OF CERTAIN TUMORS | NOVARTIS AG (CH) | 1996-12-19 | — | — | WO | disclosed |
| US-5552419-A | METALLOPROTEINASE INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1996-09-03 | — | — | US | disclosed |