Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | ILK | Q13418 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL334808 | 0.87 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2 | |
| Nitrogen SCHEMBL28651597 | 0.84 | ALDH1A1 (0.94) | ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2 | |
| SCHEMBL5049722 | 0.80 | ALDH1A1 (0.86) | ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2 | |
| Sulfuric Acid SCHEMBL28206216 | 0.80 | ALDH1A1 (0.86) | ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2 | |
| Hydrochlorthiazide SCHEMBL9107171 | 0.78 | GFER (0.71) | ALDH1A1CYP3A4TDP1SMN1; SMN2HTT | |
| 4-Nitroaniline SCHEMBL27694794 | 0.75 | ALDH1A1 (0.60) | ALDH1A1CYP3A4SMN1; SMN2CA2CA5A | |
| SCHEMBL31219335 | 0.75 | ALDH1A1 (0.77) | ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2 | |
| SCHEMBL482233 | 0.75 | ALDH1A1 (0.77) | ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2 | |
| SCHEMBL2172967 | 0.75 | SMN1; SMN2 (0.75) | ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2 | |
| Hydrochlorthiazide SCHEMBL9109773 | 0.74 | PIK3CA (0.46) | ALDH1A1TDP1SMN1; SMN2HTTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0527186-A4 | — | UNIV ILLINOIS (US) | 1995-01-18 | — | — | EP | disclosed |
| EP-0527186-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | The Board of Trustees for the University of Illinois (US) | 1993-02-17 | — | — | EP | disclosed |
| WO-1991016820-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1991-11-14 | — | — | WO | disclosed |