Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL27862957 | 0.83 | TDP1 (0.44) | TDP1ATML3MBTL1ALOX15HPGD | |
| SCHEMBL1193990 | 0.83 | TDP1 (0.50) | TDP1ATML3MBTL1ALOX15HPGD | |
| SCHEMBL4588122 | 0.81 | TDP1 (0.48) | TDP1ATML3MBTL1ALOX15HPGD | |
| SCHEMBL7509772 | 0.81 | TDP1 (0.48) | TDP1ATML3MBTL1ALOX15HPGD | |
| SCHEMBL2496279 | 0.79 | TDP1 (0.47) | TDP1ATML3MBTL1ALOX15HPGD | |
| SCHEMBL19247 | 0.78 | LTA4H (0.41) | TDP1ATML3MBTL1ALOX15HPGD | |
| SCHEMBL18073 | 0.78 | TDP1 (0.54) | TDP1ATML3MBTL1ALOX15HPGD | |
| SCHEMBL9353461 | 0.78 | TDP1 (0.54) | TDP1ATML3MBTL1ALOX15HPGD | |
| SCHEMBL9353455 | 0.78 | TDP1 (0.54) | TDP1ATML3MBTL1ALOX15HPGD | |
| SCHEMBL9241160 | 0.78 | TDP1 (0.54) | TDP1ATML3MBTL1ALOX15HPGD |
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-113164481-A | Cycloalkane-1, 3-diamine derivatives | 第一三共株式会社 | 2021-07-23 | — | — | CN | disclosed |