Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | FABP4 | P15090 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741015 | 0.88 | ALDH1A1 (0.49) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL27651181 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL21264504 | 0.85 | ALDH1A1 (0.48) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL2705753 | 0.84 | ALDH1A1 (0.69) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL29353285 | 0.84 | ALDH1A1 (0.69) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL27530304 | 0.84 | ALDH1A1 (0.59) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL17971091 | 0.83 | ALDH1A1 (0.63) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL27584631 | 0.83 | ALDH1A1 (0.67) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL25564479 | 0.82 | ALDH1A1 (0.51) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL5695975 | 0.82 | TDP1 (0.64) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 |
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-6303593-B1 | FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-10-16 | — | — | US | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |