Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.62 |
| ▸ | RAB9A | P51151 | 6/20 | 0.62 |
| ▸ | MITF | O75030 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8598953 | 0.89 | NPC1 (0.58) | NPC1RAB9AMITFPKMKMT2A | |
| SCHEMBL6216387 | 0.85 | NPC1 (0.64) | NPC1RAB9AMITFPKMKMT2A | |
| SCHEMBL10044417 | 0.83 | NPC1 (0.62) | NPC1RAB9AMITFPKMKMT2A | |
| SCHEMBL9870217 | 0.83 | NPC1 (0.62) | NPC1RAB9AMITFPKMKMT2A | |
| SCHEMBL5108559 | 0.82 | NPC1 (0.65) | NPC1RAB9AMITFPKMKMT2A | |
| SCHEMBL29703262 | 0.81 | NPC1 (0.63) | NPC1RAB9AMITFPKMKMT2A | |
| SCHEMBL13861649 | 0.81 | NPC1 (0.59) | NPC1RAB9AMITFPKMKMT2A | |
| SCHEMBL9382131 | 0.81 | NPC1 (0.63) | NPC1RAB9AMITFPKMKMT2A | |
| SCHEMBL3973342 | 0.80 | NPC1 (0.58) | NPC1RAB9AMITFPKMKMT2A | |
| SCHEMBL11759940 | 0.80 | NPC1 (0.58) | NPC1RAB9AMITFPKMKMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923529-B1 | SUBSTITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS | BAYER AG (US) | 2001-09-19 | — | — | EP | disclosed |
| EP-1051403-A1 | NOVEL ALKANOIC ACIDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999038850-A1 | NOVEL ALKANOIC ACIDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 1999-08-05 | — | — | WO | disclosed |
| EP-0923529-A1 | SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS | Bayer Corporation (US) | 1999-06-23 | — | — | EP | disclosed |
| US-5863915-A | ENZYME INHIBITORS FOR BONES AND JOINTS | BAYER CORPORATION (US) | 1999-01-26 | — | — | US | disclosed |
| WO-1997043237-A1 | SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS | BAYER CORPORATION (US) | 1997-11-20 | — | — | WO | disclosed |