Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.51 |
| ▸ | SENP5 | Q96HI0 | 3/20 | 0.48 |
| ▸ | SENP2 | Q9HC62 | 3/20 | 0.48 |
| ▸ | SENP1 | Q9P0U3 | 3/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8210314 | 0.91 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2ACKR3SENP5 | |
| SCHEMBL7889261 | 0.89 | ALDH1A1 (0.55) | ALDH1A1MAPTSMN1; SMN2ACKR3SENP5 | |
| SCHEMBL8209703 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPTSMN1; SMN2ACKR3SENP5 | |
| SCHEMBL7888341 | 0.86 | NR1H4 (0.50) | ALDH1A1MAPTSMN1; SMN2LMNAHPGD | |
| SCHEMBL7430376 | 0.81 | ACKR3 (0.48) | ALDH1A1MAPTSMN1; SMN2ACKR3SENP5 | |
| SCHEMBL8212457 | 0.81 | AKR1B1 (0.49) | ALDH1A1MAPTSMN1; SMN2ACKR3SENP5 | |
| Bicarbonate SCHEMBL7430381 | 0.81 | POLB (0.48) | ALDH1A1MAPTSMN1; SMN2ACKR3SENP5 | |
| SCHEMBL8207378 | 0.80 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2ACKR3SENP5 | |
| SCHEMBL8211512 | 0.79 | ACKR3 (0.55) | ALDH1A1MAPTACKR3LMNAAKR1B1 | |
| SCHEMBL7892988 | 0.79 | NR1H4 (0.58) | ALDH1A1MAPTSMN1; SMN2HPGDRECQL |
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-0934301-B1 | AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS | MERCK PATENT GMBH (DE) | 2001-06-20 | — | — | EP | disclosed |
| US-6143777-A | ENZYME INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-07 | — | — | US | disclosed |