Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11656824 | 0.96 | TDP1 (0.44) | TDP1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28035632 | 0.89 | CA2 (0.52) | CYP3A4CYP1A1CYP1A2CYP1B1CA12 | |
| SCHEMBL29751099 | 0.89 | CA2 (0.52) | CYP3A4CYP1A1CYP1A2CYP1B1CA12 | |
| SCHEMBL29751097 | 0.89 | CA2 (0.52) | CYP3A4CYP1A1CYP1A2CYP1B1CA12 | |
| SCHEMBL17829472 | 0.86 | TDP1 (0.46) | TDP1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL29362051 | 0.86 | TDP1 (0.46) | TDP1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17472460 | 0.81 | KMT2A (0.46) | TDP1CA12CA9TSHRMAPK1 | |
| SCHEMBL6130199 | 0.80 | TUBB4A (0.52) | TDP1CYP3A4CYP1A2CA12CA9 | |
| SCHEMBL30138955 | 0.78 | TDP1 (0.44) | TDP1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28906246 | 0.78 | TDP1 (0.44) | TDP1CYP3A4CYP1A1CYP1A2CYP1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5488172-A | Chiral phosphorus compounds | HOFFMANN-LA ROCHE INC. (US) | 1996-01-30 | — | — | US | disclosed |
| EP-0398132-B1 | Phosphorous compounds | HOFFMANN LA ROCHE (CH) | 1995-09-20 | — | — | EP | disclosed |
| EP-0398132-A2 | Phosphorous compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1990-11-22 | — | — | EP | disclosed |