Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
| ▸ | GABRE | P78334 | 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 | |
|---|---|---|---|---|
| SCHEMBL12321288 | 0.74 | CYP2A6 (0.50) | CYP2A6TNKSKDM4EALDH1A1PSMB8 | |
| SCHEMBL16632533 | 0.74 | MAOA (0.37) | F2RL3TNKSMAOAMAOBKDM4E | |
| SCHEMBL5584528 | 0.74 | CYP2A6 (0.50) | CYP2A6F2RL3MAOAKDM4EALDH1A1 | |
| SCHEMBL16632656 | 0.73 | CYP2A6 (0.38) | CYP2A6F2RL3ALDH1A1KMT2A | |
| SCHEMBL16632699 | 0.73 | MCL1 (0.50) | CYP2A6F2RL3PSMB8 | |
| SCHEMBL31070421 | 0.72 | MEN1 (0.36) | F2RL3TNKSMAOAMAOBKDM4E | |
| SCHEMBL29208144 | 0.72 | MEN1 (0.36) | F2RL3TNKSMAOAMAOBKDM4E | |
| SCHEMBL5035815 | 0.71 | CYP1A1 (0.40) | F2RL3MAOAMAOBALDH1A1GABRP | |
| SCHEMBL2091286 | 0.71 | MAOA (0.35) | F2RL3TNKSMAOAMAOBKDM4E | |
| SCHEMBL30421443 | 0.71 | AHR (0.38) | F2RL3TNKSMAOAMAOBKDM4E |
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-9382245-B2 | Compounds and methods for treating HIV infections | YALE UNIVERSITY (US) | 2016-07-05 | — | — | US | disclosed |
| US-20150105351-A1 | COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-04-16 | — | — | US | 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-20150105351-A1 | COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS | POLM, POLRMT, DHFR | CYP2A6 785/4885F2RL3 1491/4885DYRK1A 4121/4885 |
“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.