Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL376723 | 0.91 | ALDH1A1 (0.48) | ALDH1A1MAPK1TDP1MTNR1AMTNR1B | |
| SCHEMBL18885235 | 0.83 | CES2 (0.55) | ALDH1A1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29016164 | 0.79 | CES2 (0.55) | ALDH1A1TSHRNPSR1L3MBTL1MAPT | |
| SCHEMBL10579805 | 0.79 | CES2 (0.55) | ALDH1A1TSHRNPSR1L3MBTL1MAPT | |
| SCHEMBL1320539 | 0.79 | CYP1B1 (0.44) | ALDH1A1MAPK1TDP1CYP1A2CYP2C19 | |
| SCHEMBL20139669 | 0.79 | CYP1B1 (0.44) | ALDH1A1MAPK1TDP1CYP1A2CYP2C19 | |
| SCHEMBL6776074 | 0.79 | KMT2A (0.55) | ALDH1A1MAPK1TDP1CYP1A2CYP2C9 | |
| SCHEMBL6776075 | 0.79 | KMT2A (0.55) | ALDH1A1MAPK1TDP1CYP1A2CYP2C9 | |
| SCHEMBL8140201 | 0.79 | RAB9A (0.59) | ALDH1A1MAPK1TDP1NPSR1L3MBTL1 | |
| SCHEMBL9522136 | 0.79 | CES2 (0.59) | ALDH1A1MAPTCES1MEN1KMT2A |
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-0651024-B1 | Method of producing polymethine dyes | MINNESOTA MINING & MFG (US) | 1996-08-14 | — | — | EP | disclosed |
| EP-0651024-A1 | Method of producing polymethine dyes | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-05-03 | — | — | EP | disclosed |
| US-5386058-A | Method of producing polymethine dyes | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-01-31 | — | — | US | disclosed |