Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11492460 | 0.92 | LTA4H (0.36) | MAPTALDH1A1TP53TSHRLTA4H | |
| SCHEMBL11480174 | 0.88 | MAPT (0.38) | MAPTALDH1A1LTA4HNPC1RAB9A | |
| SCHEMBL11485797 | 0.87 | LTA4H (0.44) | MAPTALDH1A1TSHRLTA4HNPC1 | |
| SCHEMBL11589089 | 0.86 | ALDH1A1 (0.38) | MAPTALDH1A1TP53TSHRLMNA | |
| SCHEMBL11480169 | 0.85 | LTA4H (0.35) | MAPTALDH1A1LTA4HNPC1RAB9A | |
| SCHEMBL11480164 | 0.85 | MEN1 (0.37) | ALDH1A1TSHRLTA4HLMNAHTT | |
| SCHEMBL11480234 | 0.78 | LTA4H (0.49) | MAPTALDH1A1LTA4HNPC1RAB9A | |
| SCHEMBL11491253 | 0.78 | XIAP (0.41) | MAPTLMNAMMP14 | |
| SCHEMBL11480873 | 0.78 | ESR1 (0.37) | MAPTALDH1A1TP53TSHRNPC1 | |
| SCHEMBL11479694 | 0.77 | MMP13 (0.38) | MAPTTSHRLTA4HNPC1RAB9A |
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-4196215-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-04-01 | — | — | US | disclosed |
| US-4115456-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1978-09-19 | — | — | US | disclosed |