Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.49 |
| ▸ | FEN1 | P39748 | 1/20 | 0.49 |
| ▸ | HPGDS | O60760 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL126601 | 0.76 | DAO (0.59) | DAOCES2CES1ALDH1A1MEN1 | |
| SCHEMBL7358054 | 0.73 | NPC1 (0.42) | DAOCES2CES1ALDH1A1MEN1 | |
| SCHEMBL4341460 | 0.72 | ERCC5 (0.72) | DAOCES2CES1ALDH1A1MEN1 | |
| Thiophene Carboxylic Acid SCHEMBL27774764 | 0.72 | DAO (1.00) | DAOCES2CES1ALDH1A1MEN1 | |
| SCHEMBL18719427 | 0.72 | CES2 (0.54) | DAOCES2CES1ALDH1A1MEN1 | |
| Thiophene Carboxylic Acid SCHEMBL83000 | 0.72 | — | — | |
| Thiophene Carboxylic Acid SCHEMBL7062244 | 0.72 | DAO (1.00) | DAOCES2CES1ALDH1A1MEN1 | |
| SCHEMBL20912441 | 0.72 | NPC1 (0.52) | DAOALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL759462 | 0.71 | ALDH1A1 (0.84) | DAOCES2CES1ALDH1A1MEN1 | |
| SCHEMBL2966649 | 0.71 | ALDH1A1 (0.64) | DAOCES2CES1ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0246114-B1 | PHOTOCHROMIC SPIROPYRAN COMPOUNDS | GEC-MARCONI LIMITED (GB) | 1992-09-02 | — | — | EP | disclosed |
| US-4826977-A | Photochromic spiropyran compounds | THE PLESSEY COMPANY PLC (GB) | 1989-05-02 | — | — | US | disclosed |