Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | SQLE | Q14534 | 1/20 | 0.59 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30855369 | 0.99 | SIGMAR1 (0.58) | SIGMAR1LMNACYP2D6ADRA2ASLC6A2 | |
| SCHEMBL28616636 | 0.79 | NR1I2 (0.54) | SIGMAR1LMNACYP2D6SLC6A2PLK1 | |
| SCHEMBL28616637 | 0.79 | NR1I2 (0.54) | SIGMAR1LMNACYP2D6SLC6A2PLK1 | |
| SCHEMBL21591961 | 0.76 | SIGMAR1 (0.65) | SIGMAR1LMNACYP2D6ADRA2ASLC6A2 | |
| Terbinafine SCHEMBL1178093 | 0.76 | CYP2D6 (0.87) | SIGMAR1LMNACYP2D6ADRA2ASLC6A2 | |
| Terbinafine SCHEMBL2793602 | 0.76 | CYP2D6 (0.87) | SIGMAR1LMNACYP2D6ADRA2ASLC6A2 | |
| Hydrochloric Acid SCHEMBL30408182 | 0.75 | SIGMAR1 (0.64) | SIGMAR1LMNACYP2D6ADRA2ASLC6A2 | |
| Hydrochloric Acid SCHEMBL31374682 | 0.75 | SIGMAR1 (0.64) | SIGMAR1LMNACYP2D6ADRA2ASLC6A2 | |
| Terbinafine SCHEMBL2821945 | 0.75 | CYP2D6 (0.85) | SIGMAR1LMNACYP2D6ADRA2ASLC6A2 | |
| SCHEMBL3254626 | 0.74 | SQLE (0.69) | SIGMAR1LMNACYP2D6ADRA2ASLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113277963-B | Amine compound and preparation method and application thereof | 南京工业大学 | 2022-11-04 | — | — | CN | disclosed |
| CN-113277963-A | Amine compound and preparation method and application thereof | 南京工业大学 | 2021-08-20 | — | — | CN | disclosed |