Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8062825 | 1.00 | TACR1 (0.40) | TACR1P2RX7SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL8062830 | 0.76 | ALDH1A1 (0.36) | TACR1SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL8911597 | 0.75 | PRKCZ (0.48) | SMN1; SMN2ALDH1A1LMNAHTTTSHR | |
| SCHEMBL8053257 | 0.74 | ALDH1A1 (0.37) | TACR1SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL8063808 | 0.74 | ALDH1A1 (0.37) | TACR1SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL4471203 | 0.73 | TNF (0.48) | SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL7871985 | 0.73 | SLC6A3 (0.44) | SMN1; SMN2ALDH1A1LMNAHTTTSHR | |
| SCHEMBL7815227 | 0.72 | FNTA (0.51) | TACR1SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL8063519 | 0.72 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1LMNAHTTHPGD | |
| SCHEMBL8063522 | 0.72 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1LMNAHTTHPGD |
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-6013652-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIHISTAMINES | MERCK & CO., INC. (US) | 2000-01-11 | — | — | US | disclosed |
| US-5962462-A | COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| EP-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |