Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL185769 | 0.85 | SLC6A2 (0.50) | TAAR1IDO1LMNATSHRALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL29253660 | 0.82 | SLC6A2 (0.48) | TAAR1IDO1LMNATSHRALDH1A1 | |
| Bromide SCHEMBL28214530 | 0.82 | SLC6A2 (0.48) | TAAR1IDO1LMNATSHRALDH1A1 | |
| Water SCHEMBL28298252 | 0.82 | SLC6A2 (0.48) | TAAR1IDO1LMNATSHRCYP3A4 | |
| SCHEMBL17151110 | 0.82 | TAAR1 (0.47) | TAAR1KIF11IDO1AGXTHTT | |
| SCHEMBL7670360 | 0.82 | ESR1 (0.38) | TAAR1IDO1TSHRCYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL29076224 | 0.80 | SLC6A2 (0.46) | TAAR1IDO1LMNATSHRALDH1A1 | |
| SCHEMBL28621845 | 0.79 | IDO1 (0.41) | TAAR1IDO1AGXTTDP1ALDH1A1 | |
| SCHEMBL29299445 | 0.79 | TAAR1 (0.43) | TAAR1KIF11IDO1AGXTHTT | |
| SCHEMBL5542420 | 0.78 | ABL1 (0.32) | TAAR1KIF11 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016077541-A1 | NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2016-05-19 | — | — | WO | claimed |
| CN-118108572-A | Synthesis method of alkyl trifluoromethyl compounds | 合肥工业大学 | 2024-05-31 | — | — | CN | disclosed |
| US-9856275-B2 | Synthesis and use of fluorinated compounds | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-01-02 | — | — | US | disclosed |
| US-9856275-B2 | Synthesis and use of fluorinated compounds | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-01-02 | — | — | US | disclosed |
| WO-2016077541-A1 | NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2016-05-19 | — | — | WO | disclosed |
| US-20160002270-A1 | SYNTHESIS AND USE OF FLUORINATED COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-01-07 | — | — | US | disclosed |
| US-20160002270-A1 | SYNTHESIS AND USE OF FLUORINATED COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-01-07 | — | — | US | disclosed |
| US-20160002270-A1 | SYNTHESIS AND USE OF FLUORINATED COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-01-07 | — | — | US | disclosed |
| WO-2014126990-A1 | SYNTHESIS AND USE OF FLUORINATED COMPOUNDS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2014-08-21 | — | — | 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-20160002270-A1 | SYNTHESIS AND USE OF FLUORINATED COMPOUNDS | AFF2, AFF4, AFF1 | TAAR1 2756/4885KIF11 1276/4885IDO1 2187/4885 |
“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.