Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 6/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1126448 | 0.82 | ALDH1A1 (0.50) | ALDH1A1RAB9AMAPTNPSR1ATM | |
| SCHEMBL11640902 | 0.80 | ALOX15 (0.46) | ALDH1A1MAPTHPGDLMNACYP1A2 | |
| SCHEMBL6866100 | 0.77 | RAB9A (0.44) | ALDH1A1RAB9AMAPTNPSR1ATM | |
| SCHEMBL31114341 | 0.76 | ALDH1A1 (0.44) | ALDH1A1RAB9AMAPTNPSR1ATM | |
| SCHEMBL7455339 | 0.76 | ALDH1A1 (0.44) | ALDH1A1RAB9AMAPTNPSR1ATM | |
| SCHEMBL15843797 | 0.75 | ALDH1A1 (0.50) | ALDH1A1RAB9AMAPTNPSR1ATM | |
| SCHEMBL15843796 | 0.75 | ALDH1A1 (0.50) | ALDH1A1RAB9AMAPTNPSR1ATM | |
| SCHEMBL17050958 | 0.74 | TSHR (0.50) | ALDH1A1RAB9AMAPTNPSR1TSHR | |
| SCHEMBL8057564 | 0.74 | — | — | |
| SCHEMBL843522 | 0.73 | ALDH1A1 (0.58) | ALDH1A1ATMTSHRHPGDSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6040289-A | ACTIVE DRUG TREATING OBESITY | DR. KARL THOMAE GMBH (DE) | 2000-03-21 | — | — | US | disclosed |