Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL16044860 | 0.84 | ALDH1A1 (0.44) | CTSDALDH1A1LMNAGAAMAPT | |
| SCHEMBL11150440 | 0.82 | CTSD (0.51) | CTSDTSHRCYP1A2ALDH1A1LMNA | |
| SCHEMBL8204835 | 0.81 | CTSD (0.54) | CTSDTSHRCYP1A2ALDH1A1LMNA | |
| (Ortho-Nitrobenzoyl)Alanine SCHEMBL5291442 | 0.81 | KMO (0.55) | CTSDTSHRCYP1A2ALDH1A1MAPT | |
| (Ortho-Nitrobenzoyl)Alanine SCHEMBL9064990 | 0.81 | KMO (0.55) | CTSDTSHRCYP1A2ALDH1A1MAPT | |
| SCHEMBL10989602 | 0.80 | CTSD (0.53) | CTSDTSHRCYP1A2ALDH1A1GAA | |
| SCHEMBL8488879 | 0.76 | CTSD (0.60) | CTSDTSHRCYP1A2ALDH1A1LMNA | |
| SCHEMBL8535216 | 0.76 | ERCC5 (0.53) | TSHRGAAMEN1KMT2A | |
| SCHEMBL27570854 | 0.76 | CTSD (0.65) | CTSDCYP1A2ALDH1A1LMNAGAA | |
| SCHEMBL3167978 | 0.76 | CTSD (0.59) | CTSDTSHRCYP1A2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105164113-A | Pyrroloamide inhibitors | ABBVIE INC | 2015-12-16 | — | — | CN | disclosed |