Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28446977 | 0.85 | ALDH1A1 (0.63) | CTSDALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL5248182 | 0.81 | SLC6A2 (0.58) | TSHRCTSDALDH1A1MEN1KMT2A | |
| SCHEMBL162559 | 0.77 | TSHR (0.64) | TSHRCTSDALDH1A1MEN1KMT2A | |
| SCHEMBL7475632 | 0.77 | GLA (0.53) | TSHRCTSDALDH1A1MEN1KMT2A | |
| SCHEMBL7475644 | 0.77 | GLA (0.53) | TSHRCTSDALDH1A1MEN1KMT2A | |
| SCHEMBL1509448 | 0.76 | TSHR (0.62) | TSHRCTSDALDH1A1MEN1KMT2A | |
| SCHEMBL28935981 | 0.76 | TSHR (0.62) | TSHRCTSDALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27908306 | 0.76 | TSHR (0.62) | TSHRCTSDALDH1A1MEN1KMT2A | |
| SCHEMBL1509450 | 0.76 | TSHR (0.62) | TSHRCTSDALDH1A1MEN1KMT2A | |
| SCHEMBL505223 | 0.76 | TSHR (0.53) | TSHRCTSDALDH1A1MEN1KMT2A |
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-6201119-B1 | 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-03-13 | — | — | US | disclosed |