Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.36 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9529453 | 0.84 | TUBB4A (0.45) | ERN1CYP2A6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9779150 | 0.79 | CYP2A6 (0.42) | ERN1HPRT1CYP2A6CYP1A2CYP2C9 | |
| SCHEMBL10348819 | 0.79 | ERN1 (0.56) | ERN1HPRT1CYP2A6CYP1A2CYP2C9 | |
| SCHEMBL9537870 | 0.73 | CYP2A6 (0.46) | ERN1HPRT1CYP2A6CYP1A2CYP2C9 | |
| SCHEMBL547664 | 0.72 | ERN1 (0.49) | ERN1HPRT1CYP2A6CYP1A2CYP2C9 | |
| SCHEMBL362053 | 0.72 | ALDH1A1 (0.56) | HPRT1CYP2A6CYP1A2MAPTALDH1A1 | |
| SCHEMBL29808493 | 0.72 | ALDH1A1 (0.56) | HPRT1CYP2A6CYP1A2MAPTALDH1A1 | |
| SCHEMBL31471980 | 0.71 | HPRT1 (0.58) | HPRT1CYP2A6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12278069 | 0.71 | HPRT1 (0.58) | HPRT1CYP2A6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1487826 | 0.71 | HPRT1 (0.58) | HPRT1CYP2A6CYP1A2CYP2C9CYP2C19 |
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-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |