Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 6/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.42 |
| ▸ | UBE2M | P61081 | 1/20 | 0.41 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4343719 | 0.88 | ACHE (0.47) | ALDH1A1NPSR1TDP1MTOREGFR | |
| SCHEMBL4345437 | 0.84 | EGFR (0.48) | ALDH1A1NPSR1MTOREGFRERBB2 | |
| SCHEMBL4355801 | 0.84 | EGFR (0.48) | ALDH1A1NPSR1TDP1MTOREGFR | |
| SCHEMBL4341545 | 0.81 | TDP1 (0.44) | ALDH1A1NPSR1TDP1UBE2MDCUN1D1 | |
| SCHEMBL3299626 | 0.81 | MTOR (0.55) | ALDH1A1NPSR1MTORUBE2MDCUN1D1 | |
| SCHEMBL4342070 | 0.80 | EGFR (0.43) | ALDH1A1NPSR1TDP1EGFRERBB2 | |
| SCHEMBL4351495 | 0.80 | ABCC1 (0.39) | ALDH1A1NPSR1TDP1EGFRERBB2 | |
| SCHEMBL4349798 | 0.77 | ALDH1A1 (0.46) | ALDH1A1NPSR1TDP1EGFRERBB2 | |
| SCHEMBL4342196 | 0.76 | EGFR (0.41) | ALDH1A1NPSR1TDP1MTOREGFR | |
| SCHEMBL4349130 | 0.74 | RAB9A (0.61) | POLBRAB9ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |