Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 6/20 | 0.80 |
| ▸ | MMP9 | P14780 | 6/20 | 0.80 |
| ▸ | MMP3 | P08254 | 3/20 | 0.80 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | APEX1 | P27695 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MMP13 | P45452 | 2/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Phenobarbital SCHEMBL28099657 | 1.00 | MMP2 (0.80) | MMP2MMP9MMP3KMT2AMEN1 | |
| Phenobarbital SCHEMBL16583 | 1.00 | MMP2 (0.80) | MMP2MMP9MMP3KMT2AMEN1 | |
| Phenobarbital SCHEMBL2592325 | 1.00 | MMP2 (0.80) | MMP2MMP9MMP3KMT2AMEN1 | |
| Phenobarbital SCHEMBL6807467 | 0.98 | MMP2 (0.77) | MMP2MMP9MMP3KMT2AMEN1 | |
| Phenobarbital SCHEMBL1322895 | 0.98 | MMP2 (0.77) | MMP2MMP9MMP3KMT2AMEN1 | |
| Phenobarbital SCHEMBL3475428 | 0.98 | MMP2 (0.77) | MMP2MMP9MMP3KMT2AMEN1 | |
| Phenobarbital SCHEMBL4193755 | 0.98 | MMP2 (0.77) | MMP2MMP9MMP3KMT2AMEN1 | |
| Phenobarbital SCHEMBL2120028 | 0.98 | MMP2 (0.77) | MMP2MMP9MMP3KMT2AMEN1 | |
| Phenobarbital SCHEMBL22032658 | 0.98 | MMP2 (0.77) | MMP2MMP9MMP3KMT2AMEN1 | |
| Phenobarbital SCHEMBL352763 | 0.98 | MMP2 (0.77) | MMP2MMP9MMP3KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017077134-A1 | COMPOUNDS FOR THE TREATMENT OF CANCER AND/OR CANCER TREATMENT RESISTANCE BY INHIBITION OF CANCER STEM CELLS | INSTITUT D'INVESTIGACIÓ BIOMÈDICA DE GIRONA (ES) | 2017-05-11 | — | — | WO | disclosed |