Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.48 |
| ▸ | CA6 | P23280 | 5/20 | 0.48 |
| ▸ | CA7 | P43166 | 5/20 | 0.48 |
| ▸ | CA9 | Q16790 | 5/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA4 | P22748 | 4/20 | 0.48 |
| ▸ | CA5A | P35218 | 4/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | CASP2 | P42575 | 2/20 | 0.48 |
| ▸ | F13A1 | P00488 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | THPO | P40225 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2604431 | 0.96 | CA12 (0.46) | CA12CA6CA7CA9CA14 | |
| SCHEMBL11408576 | 0.88 | CA12 (0.46) | CA12CA6CA7CA9CA14 | |
| SCHEMBL11227502 | 0.87 | CA12 (0.50) | CA12CA6CA7CA9CA14 | |
| SCHEMBL11374620 | 0.87 | CA12 (0.50) | CA12CA6CA7CA9CA14 | |
| SCHEMBL1408867 | 0.87 | — | — | |
| SCHEMBL7762477 | 0.84 | CA12 (0.52) | CA12CA6CA7CA9CA14 | |
| SCHEMBL9816759 | 0.83 | CASP2 (0.59) | CA12CA6CA7CA9CA14 | |
| SCHEMBL3015969 | 0.80 | CA12 (0.48) | CA12CA6CA7CA9CA14 | |
| SCHEMBL14663224 | 0.79 | LMNA (0.44) | PKMTSHRLMNASMN1; SMN2 | |
| SCHEMBL12338141 | 0.79 | ESR1 (0.63) | CA12CA6CA7CA9CA14 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4340756-A | Polyamine compounds as antibacterial agents | MERCK & CO., INC. (US) | 1982-07-20 | — | — | US | disclosed |
| US-4260760-A | BACTERICIDES, ALGICIDES | MERCK & CO., INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4172094-A | Polyamine compounds | MERCK & CO., INC. (US) | 1979-10-23 | — | — | US | disclosed |
| US-4100193-A | MICROBIOCIDES, ALGAE INHIBITORS | MERCK & CO., INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4091020-A | CONDENSATION, CATALYTIC DECARBOXYLATION | MERCK & CO., INC. (US) | 1978-05-23 | — | — | US | disclosed |
| US-4065497-A | MICROBIOCIDES, ALGICIDES | MERCK & CO., INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-4061775-A | Polyamine compounds as antibacterial agents | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4060639-A | Broad spectrum antibacterial compositions containing tris-(hydroxymethyl)-aminoethane and dicycloaliphatic-alkyl polyamines | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-4058624-A | Broad spectrum antibacterial compositions containing tris (hydroxymethyl)-aminomethane and diphenyl and loweralkyl substituted diphenyl polyamines | MERCK & CO., INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-4058625-A | Broad spectrum antimicrobial compositions containing tris-(hydroxymethyl)aminomethane and polyamines | MERCK & CO., INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-4049417-A | CONTAINING CYCLOHEXYL OR CYCLOHEXENYL RINGS | MERCK & CO., INC. (US) | 1977-09-20 | — | — | US | disclosed |
| US-4003934-A | ANTIMICROBIAL AGENTS, ALGAE INHIBITORS | MERCK & CO., INC. (US) | 1977-01-18 | — | — | US | disclosed |