Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | BCR | P11274 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6285575 | 0.99 | ALDH1A1 (0.54) | ALDH1A1CYP1A1CYP1A2CYP1B1SMN1; SMN2 | |
| SCHEMBL6498922 | 0.85 | KMT2A (0.55) | ALDH1A1CYP1A1CYP1A2CYP1B1KMT2A | |
| SCHEMBL7142373 | 0.85 | NPC1 (0.54) | ALDH1A1CYP1A1CYP1A2CYP1B1KMT2A | |
| Hydrochloric Acid SCHEMBL11477034 | 0.85 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1A2CYP1B1SMN1; SMN2 | |
| Bromide SCHEMBL6283052 | 0.84 | NPC1 (0.53) | ALDH1A1CYP1A1CYP1A2CYP1B1KMT2A | |
| Bromide SCHEMBL6282381 | 0.84 | KMT2A (0.53) | ALDH1A1CYP1A1CYP1A2CYP1B1KMT2A | |
| SCHEMBL7148265 | 0.83 | NPC1 (0.51) | ALDH1A1CYP1A2KMT2ATDP1MEN1 | |
| SCHEMBL7143763 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP1A1CYP1A2CYP1B1SMN1; SMN2 | |
| Bromide SCHEMBL6284648 | 0.82 | NPC1 (0.50) | ALDH1A1CYP1A2KMT2ATDP1MEN1 | |
| Bromide SCHEMBL6507643 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1A2CYP1B1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6620825-B1 | 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| US-6436966-B1 | Adenosine A3 receptor antagonists | TAKEDA CHEMICAL IND., LTD. (JP) | 2002-08-20 | — | — | US | disclosed |