Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 8/20 | 0.39 |
| ▸ | NPC1 | O15118 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6302961 | 0.93 | ALDH1A1 (0.38) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 | |
| SCHEMBL6304219 | 0.91 | ALDH1A1 (0.39) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 | |
| SCHEMBL24842026 | 0.86 | HDAC1 (0.36) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 | |
| SCHEMBL6305170 | 0.85 | RAB9A (0.36) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 | |
| SCHEMBL2361631 | 0.83 | ALDH1A1 (0.44) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 | |
| SCHEMBL6302334 | 0.82 | ALDH1A1 (0.37) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 | |
| SCHEMBL6671375 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 | |
| SCHEMBL4324414 | 0.80 | ALDH1A1 (0.54) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 | |
| SCHEMBL6309307 | 0.80 | CYP1A2 (0.36) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 | |
| SCHEMBL28289417 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2D6 |
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-6949562-B2 | Heterocyclic compounds as ligands of the GABAA receptor | NEUROGEN CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |