Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.77 |
| ▸ | MEN1 | O00255 | 2/20 | 0.77 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | S100B | P04271 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | CASP7 | P55210 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL19334500 | 0.79 | ALDH1A1 (0.67) | ALDH1A1KMT2AMEN1TSHRTP53 | |
| SCHEMBL1304849 | 0.78 | S100B (1.00) | ALDH1A1KMT2AMEN1TSHRS100B | |
| SCHEMBL12112149 | 0.78 | S100B (0.72) | ALDH1A1KMT2AMEN1TSHRS100B | |
| SCHEMBL12112136 | 0.77 | S100B (0.87) | ALDH1A1KMT2AMEN1TSHRS100B | |
| SCHEMBL31454744 | 0.76 | MAPT (0.83) | ALDH1A1KMT2AMEN1TSHRTP53 | |
| SCHEMBL1788374 | 0.76 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1TSHRTP53 | |
| SCHEMBL17702679 | 0.76 | PKM (0.68) | ALDH1A1KMT2AMEN1TSHRTP53 | |
| Aminopyrine SCHEMBL7042293 | 0.75 | ALOX15 (0.71) | ALDH1A1KMT2AMEN1TSHRLMNA | |
| SCHEMBL6466850 | 0.75 | GAA (1.00) | ALDH1A1KMT2AMEN1TSHRLMNA | |
| SCHEMBL16134725 | 0.75 | PKM (0.67) | ALDH1A1KMT2AMEN1TSHRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-8053477-B2 | Including but hot limited to pentamidine and derivatives thereof | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2011-11-08 | — | — | US | disclosed |
| US-8053477-B2 | Including but hot limited to pentamidine and derivatives thereof | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2011-11-08 | — | — | US | disclosed |