Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | NQO2 | P16083 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TOP2A | P11388 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26365065 | 0.85 | CYP3A4 (0.54) | ALDH1A1TAAR1NQO2CYP3A4CYP2E1 | |
| SCHEMBL28212589 | 0.76 | ALDH1A1 (0.52) | ALDH1A1NQO2RAB9ANPC1MEN1 | |
| Hydrochloric Acid SCHEMBL27880884 | 0.75 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL27883787 | 0.70 | TDP1 (0.48) | ALDH1A1TSHRNQO2RAB9ANPC1 | |
| SCHEMBL27741062 | 0.70 | ALDH1A1 (0.52) | ALDH1A1TSHRNQO2CYP3A4CYP2E1 | |
| SCHEMBL12477624 | 0.70 | ALDH1A1 (0.42) | ALDH1A1TSHRNQO2CYP3A4CYP2E1 | |
| SCHEMBL27736349 | 0.70 | ALDH1A1 (0.42) | ALDH1A1TSHRNQO2CYP3A4CYP2E1 | |
| SCHEMBL27149030 | 0.70 | EGFR (0.46) | ALDH1A1CYP3A4KDM4EMITFHPGD | |
| SCHEMBL12230560 | 0.68 | HSD17B10 (0.64) | ALDH1A1TSHRTAAR1NQO2CYP3A4 | |
| SCHEMBL2889732 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442705-B2 | HIV replication inhibiting pyrimidines and triazines | TIBOTEC PHARMACEUTICALS LTD (IE) | 2008-10-28 | — | — | US | disclosed |
| EP-1597238-B1 | HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES | TIBOTEC PHARM LTD (IE) | 2007-05-09 | — | — | EP | disclosed |
| US-20060194804-A1 | Hiv replication inhibiting pyrimidines and triazines | TIBOTEC BVBA | 2006-08-31 | — | — | US | disclosed |
| EP-1597238-A1 | HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES | Tibotec Pharmaceuticals Ltd. (IE) | 2005-11-23 | — | — | EP | disclosed |
| WO-2004074262-A1 | HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2004-09-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060194804-A1 | Hiv replication inhibiting pyrimidines and triazines | TYMS, UMPS, DUT | ALDH1A1 2723/4885TSHR 4623/4885TAAR1 3302/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.