Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.68 |
| ▸ | CA2 | P00918 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | TERT | O14746 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29619555 | 1.00 | CA1 (0.68) | CA1CA2ALDH1A1TP53GAA | |
| SCHEMBL29097638 | 0.83 | ALDH1A1 (0.69) | ALDH1A1TP53GAAHPGDKMT2A | |
| SCHEMBL3243125 | 0.83 | ALDH1A1 (0.69) | ALDH1A1TP53GAAHPGDKMT2A | |
| Hydrochloric Acid SCHEMBL27677246 | 0.81 | ALDH1A1 (0.67) | ALDH1A1TP53GAAHPGDKMT2A | |
| SCHEMBL26489650 | 0.81 | ALDH1A1 (0.69) | CA1CA2ALDH1A1GAAHPGD | |
| SCHEMBL4609657 | 0.81 | CA1 (1.00) | CA1CA2ALDH1A1TP53ALDH3A1 | |
| SCHEMBL29163908 | 0.81 | ALDH1A1 (0.66) | ALDH1A1TP53GAAHPGDKMT2A | |
| SCHEMBL30690126 | 0.81 | ALDH1A1 (0.66) | ALDH1A1TP53GAAHPGDKMT2A | |
| SCHEMBL2362765 | 0.80 | HTR1A (0.68) | ACHE | |
| SCHEMBL12124720 | 0.80 | HTR1A (0.68) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0359311-B1 | Butynylamine derivatives | NIPPON SHINYAKU CO LTD (JP) | 1997-01-15 | — | — | EP | disclosed |
| US-5036098-A | Urogenital disorders | NIPPON SHINYAKU CO., LTD. (JP) | 1991-07-30 | — | — | US | disclosed |
| US-4927835-A | ANTIPYRETICS | NIPPON SHINYAKU CO., LTD. (JP) | 1990-05-22 | — | — | US | disclosed |
| EP-0359311-A2 | Butynylamine derivatives | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1990-03-21 | — | — | EP | disclosed |
| EP-0331195-A2 | Acylphenol derivatives | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1989-09-06 | — | — | EP | disclosed |
| EP-0089055-B1 | DEAZAPURINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 1987-06-03 | — | — | EP | disclosed |
| US-4595530-A | Thiodeazapurine derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-06-17 | — | — | US | disclosed |
| US-4571423-A | Substituted 5-aminomethyl-2-acylaminopyrrolo[2,3-d]pyrimidin-4-ones | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 1986-02-18 | — | — | US | disclosed |
| EP-0119591-A1 | Thiodeazapurine derivatives | Takeda Chemical Industries, Ltd. (JP) | 1984-09-26 | — | — | EP | disclosed |
| EP-0089055-A2 | Deazapurine derivatives | Takeda Chemical Industries, Ltd. (JP) | 1983-09-21 | — | — | EP | disclosed |