Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10299701 | 0.78 | CYP2C19 (0.39) | ALDH1A1LMNACYP3A4KDM4EMAPT | |
| SCHEMBL2770699 | 0.78 | KDM4E (0.54) | ALDH1A1LMNACYP3A4KDM4ETP53 | |
| SCHEMBL14394762 | 0.78 | TRPA1 (0.47) | ALDH1A1LMNAMAPTSMN1; SMN2CYP2A6 | |
| SCHEMBL9702187 | 0.78 | CYP1A2 (0.52) | ALDH1A1LMNAKDM4ETP53TSHR | |
| SCHEMBL173274 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTSMN1; SMN2CYP2A6 | |
| SCHEMBL12298544 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTSMN1; SMN2CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL17394609 | 0.76 | ALDH1A1 (0.48) | ALDH1A1LMNAMAPTSMN1; SMN2CYP2A6 | |
| SCHEMBL9461723 | 0.75 | CYP3A4 (0.65) | ALDH1A1LMNACYP3A4KDM4ETP53 | |
| SCHEMBL333123 | 0.75 | CYP3A4 (0.65) | ALDH1A1LMNACYP3A4KDM4ETP53 | |
| SCHEMBL7527708 | 0.75 | CYP3A4 (0.65) | ALDH1A1LMNACYP3A4KDM4ETP53 |
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-8940392-B2 | Titanium based inorganic-organic hybrid solid material, method for preparing same and uses thereof | UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) | 2015-01-27 | — | — | US | disclosed |
| US-20120121904-A1 | TITANIUM BASED INORGANIC-ORGANIC HYBRID SOLID MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF | L'UNIVERSITE PIERRE ET MARIE CURIE, (PARIS 6) (FR) | 2012-05-17 | — | — | US | disclosed |