Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | MAPT | P10636 | 4/20 | 0.74 |
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.67 |
| ▸ | CA7 | P43166 | 1/20 | 0.67 |
| ▸ | CA9 | Q16790 | 1/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid Methyl Ester SCHEMBL137891 | 1.00 | TDP1 (1.00) | TDP1ALDH1A1MAPTCA1CA2 | |
| 4-Methylbenzoic Acid Methyl Ester SCHEMBL27908435 | 0.95 | TDP1 (0.91) | TDP1ALDH1A1MAPTCA1CA2 | |
| 4-Methylbenzoic Acid Methyl Ester SCHEMBL7159509 | 0.95 | TDP1 (0.91) | TDP1ALDH1A1MAPTCA1CA2 | |
| SCHEMBL2275652 | 0.93 | TDP1 (0.87) | TDP1ALDH1A1MAPTCA1CA2 | |
| 4-Methylbenzoic Acid Methyl Ester SCHEMBL28736599 | 0.93 | TDP1 (0.87) | TDP1ALDH1A1MAPTCA1CA2 | |
| SCHEMBL1775145 | 0.93 | TDP1 (0.87) | TDP1ALDH1A1MAPTCA1CA2 | |
| SCHEMBL16604879 | 0.93 | TDP1 (0.87) | TDP1ALDH1A1MAPTCA1CA2 | |
| SCHEMBL13019491 | 0.93 | TDP1 (0.87) | TDP1ALDH1A1MAPTCA1CA2 | |
| 4-Methylbenzoic Acid Methyl Ester SCHEMBL28655144 | 0.91 | TDP1 (0.83) | TDP1ALDH1A1MAPTCA1CA2 | |
| 4-Methylbenzoic Acid Methyl Ester SCHEMBL30831242 | 0.91 | TDP1 (0.83) | TDP1ALDH1A1MAPTCA1CA2 |
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-3962315-A | EUTECTICS, CRYSTALLIZATION | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-08 | — | — | US | claimed |
| US-4820862-A | MIXED SULUBLE COMPOUNDS OF COBALT AND MANGANESE AS OXIDATION CATALYSTS | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1989-04-11 | — | — | US | disclosed |