Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.40 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1922386 | 0.88 | PDK1 (0.42) | ALDH1A1LMNAHPGDTSHRUSP2 | |
| SCHEMBL4306128 | 0.83 | MAPT (0.47) | ALDH1A1MAPTLMNAHPGDTSHR | |
| SCHEMBL27807497 | 0.79 | SMN1; SMN2 (0.39) | ALDH1A1MAPTLMNAHPGDTSHR | |
| SCHEMBL4711994 | 0.76 | ALDH1A1 (0.53) | ALDH1A1LMNAHPGDTSHRUSP2 | |
| SCHEMBL21987969 | 0.75 | IDO1 (0.48) | ALDH1A1IDO1MAPTDRD2HPGD | |
| SCHEMBL23013309 | 0.75 | USP2 (0.62) | ALDH1A1MAPTLMNAHPGDTSHR | |
| SCHEMBL27988801 | 0.75 | IDO1 (0.53) | ALDH1A1IDO1MAPTDRD2HPGD | |
| SCHEMBL6921464 | 0.75 | IDO1 (0.50) | ALDH1A1IDO1MAPTDRD2HPGD | |
| SCHEMBL1261803 | 0.75 | RARA (0.38) | ALDH1A1MAPTLMNAHPGDTSHR | |
| SCHEMBL7113759 | 0.75 | ALDH1A1 (0.48) | ALDH1A1IDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102066327-B | Iminopyridine derivatives and use thereof | TAKEDA PHARMACEUTICAL | 2013-05-29 | — | — | CN | disclosed |
| CN-102066327-A | Iminopyridine derivatives and use thereof | TAKEDA PHARMACEUTICAL | 2011-05-18 | — | — | CN | disclosed |
| EP-2271624-A1 | IMINOPYRIDINE DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-01-12 | — | — | EP | disclosed |