Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15764873 | 0.85 | IDO1 (0.38) | ALDH1A1HSD17B10TSHRCYP1A2HPGD | |
| SCHEMBL9779292 | 0.79 | HTR2A (0.46) | ALDH1A1HSD17B10TSHRCYP1A2HPGD | |
| SCHEMBL17756341 | 0.74 | IDO1 (0.41) | ALDH1A1HSD17B10CYP1A2CYP1B1IDO1 | |
| SCHEMBL28899 | 0.74 | CYP1A2 (0.58) | ALDH1A1HSD17B10TSHRCYP1A2HPGD | |
| SCHEMBL3803178 | 0.74 | KMT2A (0.51) | ALDH1A1HSD17B10TSHRCYP1A2HPGD | |
| SCHEMBL1538525 | 0.72 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TSHRCYP1A2HPGD | |
| SCHEMBL28190 | 0.72 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TSHRCYP1A2HPGD | |
| SCHEMBL27015 | 0.72 | CYP1A2 (0.45) | ALDH1A1HSD17B10TSHRCYP1A2HPGD | |
| SCHEMBL1538691 | 0.72 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TSHRCYP1A2HPGD | |
| SCHEMBL7761134 | 0.72 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TSHRCYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| JP-2145582-A | — | — | None | — | — | JP | disclosed |
| JP-2000281675-A | DITHIANAPHTHALENOPHANE COMPOUND AND ITS PRODUCTION | AGENCY OF IND SCIENCE & TECHNOL | 2000-10-10 | — | — | JP | disclosed |
| JP-H02145582-A | 8,10-DITHIA-8,9,10,11-TETRAHYDRO-7H-CYCLOOCTA(DE)NAPHTHALENE COMPOUND AND PRODUCTION THEREOF | AGENCY OF IND SCIENCE & TECHNOL | 1990-06-05 | — | — | JP | disclosed |