Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KIF20A | O95235 | 1/20 | 0.34 |
| ▸ | RGS12 | O14924 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7354929 | 0.89 | ALDH1A1 (0.35) | ALDH1A1KDM4ENPC1KIF20AESR1 | |
| SCHEMBL7352839 | 0.85 | ALDH1A1 (0.36) | ALDH1A1KIF20ARGS12APOBEC3ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7356940 | 0.80 | ALDH1A1 (0.37) | ALDH1A1KDM4ENPC1POLBMAPT | |
| SCHEMBL7353853 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4ENPC1KIF20ARGS12 | |
| SCHEMBL7424087 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1KIF20AESR1 | |
| SCHEMBL7362233 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1KIF20AESR1 | |
| SCHEMBL7361844 | 0.75 | ALDH1A1 (0.46) | ALDH1A1KDM4ENPC1ESR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL7355074 | 0.72 | FFAR1 (0.39) | ALDH1A1POLBMAPT | |
| SCHEMBL7356973 | 0.71 | USP14 (0.33) | CYP2C9MAPT | |
| SCHEMBL7350830 | 0.69 | TUBB1 (0.42) | ALDH1A1KDM4EESR1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999028297-A1 | SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-10 | — | — | WO | disclosed |