Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | GLO1 | Q04760 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15149247 | 0.77 | LOXL2 (0.63) | PKMALDH1A1RAB9AHPGDHSD17B10 | |
| SCHEMBL3962528 | 0.77 | RAB9A (0.56) | PKMALDH1A1RAB9AHPGDHSD17B10 | |
| SCHEMBL11641690 | 0.75 | ALDH1A1 (0.54) | PKMALDH1A1RAB9AHPGDHSD17B10 | |
| SCHEMBL10757275 | 0.75 | ALDH1A1 (0.56) | ALDH1A1RAB9AMAPTHPGDHSD17B10 | |
| SCHEMBL4028624 | 0.75 | MAPT (0.62) | PKMALDH1A1RAB9AMAPTHPGD | |
| SCHEMBL3963337 | 0.74 | HPGD (0.60) | PKMALDH1A1RAB9AHPGDHSD17B10 | |
| Dimethylamine SCHEMBL10597484 | 0.74 | HPGD (0.50) | PKMALDH1A1RAB9AHPGDHSD17B10 | |
| SCHEMBL10757478 | 0.74 | ALDH1A1 (0.55) | ALDH1A1RAB9AMAPTHPGDHSD17B10 | |
| Bromide SCHEMBL6428429 | 0.74 | MAPT (0.60) | PKMALDH1A1RAB9AMAPTHPGD | |
| SCHEMBL10653229 | 0.74 | RAB9A (0.58) | PKMALDH1A1RAB9AMAPTHPGD |
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-0747448-B1 | Rigidized monomethine cyanine dyes | UNIV CARNEGIE MELLON (US) | 2002-11-06 | — | — | EP | disclosed |
| EP-0747448-A2 | Rigidized monomethine cyanine dyes | CARNEGIE-MELLON UNIVERSITY (US) | 1996-12-11 | — | — | EP | disclosed |