Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 4/20 | 0.34 |
| ▸ | MMP3 | P08254 | 3/20 | 0.34 |
| ▸ | MMP9 | P14780 | 3/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8505537 | 0.90 | MMP2 (0.43) | KDM4EALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL8502321 | 0.84 | RET (0.39) | KDM4EALDH1A1RETMAPTNPC1 | |
| SCHEMBL11215216 | 0.77 | ESR1 (0.49) | ALDH1A1MAPK1CYP2C19LMNACYP1A2 | |
| SCHEMBL8690818 | 0.74 | MMP2 (0.42) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL7353635 | 0.74 | MMP2 (0.42) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL7353628 | 0.74 | MMP2 (0.42) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL8502365 | 0.70 | CNR1 (0.40) | ALDH1A1MAPTMIF | |
| SCHEMBL8504171 | 0.67 | MMP2 (0.57) | ALDH1A1MAPTKMT2AMMP2MMP3 | |
| SCHEMBL7996868 | 0.64 | KDM4E (0.51) | KDM4EALDH1A1RETMAPTNPC1 | |
| SCHEMBL6784818 | 0.63 | ESR1 (0.42) | ALDH1A1MAPTNPC1GAARAB9A |
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-5939583-A | ANTIARTHRITIC AGENTS; BONE, CARDIOVASCULAR, BRAIN, NERVOUS SYSTEM DISORDERS; ANTITUMOR AND ANTIMETASTASIS AGENTS | BAYER CORPORATION (US) | 1999-08-17 | — | — | US | claimed |
| US-5939583-A | ANTIARTHRITIC AGENTS; BONE, CARDIOVASCULAR, BRAIN, NERVOUS SYSTEM DISORDERS; ANTITUMOR AND ANTIMETASTASIS AGENTS | BAYER CORPORATION (US) | 1999-08-17 | — | — | US | disclosed |