Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ATP4A | P20648 | 1/20 | 0.30 |
| ▸ | ATP4B | P51164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5746917 | 0.87 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TSHRTDP1CA1 | |
| SCHEMBL7642936 | 0.81 | CYP3A4 (0.45) | CD44CYP1A1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL30806137 | 0.81 | CYP3A4 (0.45) | CD44CYP1A1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL11139083 | 0.79 | CD44 (0.38) | CD44CYP1A1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL2003716 | 0.79 | CD44 (0.38) | CD44CYP1A1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL3410728 | 0.73 | MCL1 (0.40) | ALDH1A1TSHRPOLB | |
| SCHEMBL7044076 | 0.73 | ALDH1A1 (0.44) | CYP3A4ALDH1A1POLB | |
| SCHEMBL8756021 | 0.73 | ALDH1A1 (0.41) | CYP3A4ALDH1A1TSHRTDP1 | |
| SCHEMBL25261330 | 0.73 | ATP4A (0.45) | CYP1A1CYP1A2CYP3A4ALDH1A1TP53 | |
| SCHEMBL21603385 | 0.73 | CYP3A4 (0.37) | CD44CYP1A1CYP1A2CYP3A4ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1597242-A1 | HIV INHIBITING 1,2,4-TRIAZINES | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-11-23 | — | — | EP | disclosed |
| EP-0940139-B1 | Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers | SCION PHARMACEUTICALS INC (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2004074266-A1 | HIV INHIBITING 1,2,4-TRIAZINES | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-09-02 | — | — | WO | disclosed |
| US-5637623-A | CENTRAL NERVOUS SYSTEM DISORDERS | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1997-06-10 | — | — | US | disclosed |