Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | CASP6 | P55212 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | G6PD | P11413 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27985199 | 0.88 | ALDH1A1 (0.49) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 | |
| SCHEMBL26963219 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 | |
| SCHEMBL30626464 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 | |
| SCHEMBL8063524 | 0.85 | VCAM1 (0.46) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 | |
| SCHEMBL6534956 | 0.85 | VCAM1 (0.46) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 | |
| SCHEMBL30729473 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 | |
| SCHEMBL8668862 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 | |
| SCHEMBL28121140 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 | |
| SCHEMBL611879 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 | |
| SCHEMBL3639673 | 0.80 | TSHR (0.50) | ALDH1A1CYP3A4TDP1ALOX15CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4031074-A | Process for the preparation of 11β-hydroxy-18-alkyl-estrane compounds | AKZONA INCORPORATED (US) | 1977-06-21 | — | — | US | disclosed |
| US-3931303-A | Process for preparing 5-halo-2,3-phenylenediamine-1-carboxylic acid | GAF CORPORATION (US) | 1976-01-06 | — | — | US | disclosed |