Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1928086 | 0.82 | HRH3 (0.56) | ALDH1A1KDM4ESMN1; SMN2MAPTHPGD | |
| SCHEMBL1667288 | 0.82 | KMT2A (0.60) | ALDH1A1KDM4ESMN1; SMN2TDP1TSHR | |
| SCHEMBL31378679 | 0.82 | KMT2A (0.60) | ALDH1A1KDM4ESMN1; SMN2TDP1TSHR | |
| SCHEMBL3866421 | 0.82 | KDM4E (0.53) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| SCHEMBL31378757 | 0.81 | HRH3 (0.55) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| SCHEMBL12448363 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| SCHEMBL4040473 | 0.80 | KDM4E (0.62) | ALDH1A1KDM4ESMN1; SMN2TDP1TSHR | |
| SCHEMBL14399503 | 0.79 | KDM4E (0.63) | ALDH1A1KDM4ESMN1; SMN2TDP1TSHR | |
| SCHEMBL4042588 | 0.79 | KMT2A (0.59) | ALDH1A1KDM4ESMN1; SMN2TDP1TSHR | |
| SCHEMBL12781676 | 0.78 | KDM4E (0.60) | ALDH1A1KDM4ESMN1; SMN2TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |