Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 3/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9770517 | 0.82 | HPGD (0.41) | HPGDALOX15HSD17B10RXRARXRB | |
| SCHEMBL31085264 | 0.79 | RXRA (0.41) | RXRARXRBCYP26A1CYP3A4CYP26B1 | |
| SCHEMBL25368628 | 0.78 | PTGS2 (0.39) | RXRARXRBCYP26A1CYP3A4CYP26B1 | |
| SCHEMBL6554250 | 0.75 | RXRA (0.38) | HPGDHSD17B10RXRARXRBCYP26A1 | |
| Isopropylbenzene SCHEMBL11245662 | 0.75 | RXRA (0.38) | HPGDALOX15HSD17B10RXRARXRB | |
| SCHEMBL29743366 | 0.75 | RXRA (0.38) | HPGDHSD17B10RXRARXRBCYP26A1 | |
| SCHEMBL8649981 | 0.72 | CYP3A4 (0.40) | HPGDALOX15HSD17B10RXRARXRB | |
| SCHEMBL25366323 | 0.72 | RXRA (0.31) | RXRACYP26A1CYP3A4CYP26B1 | |
| SCHEMBL24023602 | 0.72 | ALDH1A1 (0.44) | ALDH1A1USP2GAAPKMHPGD | |
| SCHEMBL9770732 | 0.72 | ESR2 (0.38) | ALDH1A1GAAHPGDRXRARXRB |
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 |
|---|---|---|---|---|---|---|---|
| US-4987261-A | Diaminoindane derivatives | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-01-22 | — | — | US | disclosed |