Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17563593 | 0.82 | CYP11B1 (0.40) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL17563597 | 0.82 | CYP11B1 (0.40) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL25451296 | 0.82 | CA2 (0.35) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL23995720 | 0.80 | CA2 (0.36) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL9770695 | 0.75 | ALDH1A1 (0.37) | ALDH1A1TDP1KDM1A | |
| SCHEMBL31284751 | 0.73 | LDHA (0.34) | ALDH1A1RXRAKDM1A | |
| SCHEMBL5163204 | 0.73 | KDM1A (0.32) | ALDH1A1KDM1A | |
| SCHEMBL10819305 | 0.73 | HDAC4 (0.37) | KDM1A | |
| SCHEMBL9507986 | 0.73 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1KDM1A | |
| SCHEMBL27861719 | 0.73 | TP53 (0.42) | — |
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-1148400-C | polyimide and polyamic acid | 三井化学株式会社 | 2004-05-05 | — | — | CN | disclosed |
| CN-1366534-A | Polyimides and polyamide acids | MITSUI CHEMICALS INC (JP) | 2002-08-28 | — | — | CN | disclosed |
| US-4987261-A | Diaminoindane derivatives | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-01-22 | — | — | US | disclosed |