Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7410818 | 0.95 | CTSD (0.45) | CTSDRAB9ASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL7407867 | 0.91 | CTSD (0.57) | CTSDRAB9ASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL9249682 | 0.86 | CTSD (0.53) | CTSDRAB9ASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL7415175 | 0.85 | CTSD (0.53) | CTSDRAB9ASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL9191298 | 0.83 | RAB9A (0.53) | CTSDRAB9ASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL9250162 | 0.82 | RAB9A (0.54) | CTSDRAB9ASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL8848662 | 0.80 | SNCA (0.57) | CYP1A2SNCAALDH1A1TDP1ALOX15 | |
| SCHEMBL13324857 | 0.79 | SNCA (0.50) | RAB9ASMN1; SMN2NPC1SNCAALDH1A1 | |
| SCHEMBL6858339 | 0.78 | CTSD (0.46) | CTSDRAB9ASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL3836319 | 0.77 | F13A1 (0.53) | SMN1; SMN2CYP1A2ALDH1A1TDP1POLB |
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-6150412-A | SUCH AS 4-(5-HYDROXY-4-METHOXY-2-NITROPHENYL)BUTANOIC ACID; ADMINISTERING TO INHIBIT CATECHOL-O-METHYL TRANSFERASE; TREATING PARKINSON'S DISEASE OR HYPERTENSION | ORION-YHTYMA OY (FI) | 2000-11-21 | — | — | US | disclosed |
| WO-1996037456-A1 | NEW CATECHOL DERIVATIVES | Orion-Yhtymä Oy (FI) | 1996-11-28 | — | — | WO | disclosed |