Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | SCN1A | P35498 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10551014 | 0.83 | ALDH1A1 (0.53) | ALDH1A1NPSR1MAPTCYP1A2TSHR | |
| SCHEMBL28254105 | 0.82 | ALDH1A1 (0.72) | ALDH1A1NPSR1MAPTCYP1A2TSHR | |
| SCHEMBL29923915 | 0.81 | ALDH1A1 (1.00) | ALDH1A1NPSR1MAPTCYP1A2TSHR | |
| SCHEMBL12788041 | 0.81 | ALDH1A1 (1.00) | ALDH1A1NPSR1MAPTCYP1A2TSHR | |
| SCHEMBL38657948 | 0.80 | ALDH1A1 (0.74) | ALDH1A1NPSR1MAPTCYP1A2TSHR | |
| SCHEMBL2634390 | 0.80 | ALDH1A1 (0.74) | ALDH1A1NPSR1MAPTCYP1A2TSHR | |
| SCHEMBL27379522 | 0.80 | ALDH1A1 (0.97) | ALDH1A1NPSR1MAPTCYP1A2TSHR | |
| SCHEMBL2353735 | 0.80 | ALDH1A1 (0.74) | ALDH1A1NPSR1MAPTCYP1A2TSHR | |
| SCHEMBL4558503 | 0.79 | ALDH1A1 (0.72) | ALDH1A1NPSR1MAPTCYP1A2TSHR | |
| SCHEMBL20537468 | 0.78 | ALDH1A1 (0.70) | ALDH1A1NPSR1MAPTCYP1A2TSHR |
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-4454337-A | Semicarbazide intermediates for preparing 4-substituted indoles | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-12 | — | — | US | claimed |