Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11040612 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRCHRM2OPRM1DDB1 | |
| SCHEMBL8884914 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TSHRCHRM2OPRM1DDB1 | |
| SCHEMBL11043276 | 0.82 | CA9 (0.40) | ALDH1A1TSHRCHRM2RAB9AHSD17B10 | |
| SCHEMBL11043274 | 0.82 | CA9 (0.40) | ALDH1A1TSHRCHRM2RAB9AHSD17B10 | |
| SCHEMBL11040844 | 0.78 | KMT2A (0.55) | ALDH1A1DDB1CRBNCYP1A2TDP1 | |
| SCHEMBL11040864 | 0.78 | KMT2A (0.55) | ALDH1A1DDB1CRBNCYP1A2TDP1 | |
| SCHEMBL28179357 | 0.76 | CYP1A2 (0.43) | ALDH1A1TSHRCHRM2OPRM1DDB1 | |
| SCHEMBL14040429 | 0.75 | ALDH1A1 (0.31) | ALDH1A1TSHRCHRM2OPRM1DDB1 | |
| SCHEMBL14015875 | 0.74 | L3MBTL1 (0.38) | ALDH1A1TSHRCHRM2OPRM1DDB1 | |
| SCHEMBL11042022 | 0.72 | L3MBTL1 (0.37) | ALDH1A1TSHRCHRM2OPRM1DDB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4458084-A | Cyclopentene derivatives | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | claimed |
| US-4474968-A | Cyclopentene derivatives | THE UPJOHN COMPANY (US) | 1984-10-02 | — | — | US | disclosed |
| US-4458083-A | ANTITUMOR AGENTS, MICROBIOCIDES | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4458089-A | ANTITUMOR AGENTS, MICROBIOCIDES | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4458084-A | Cyclopentene derivatives | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4455430-A | ANTITUMOR AGENTS, MICROCIDES | THE UPJOHN COMPANY (US) | 1984-06-19 | — | — | US | disclosed |
| US-RE31578-E | ANTITUMOR AGENTS, BACTERICIDES | THE UPJOHN COMPANY (US) | 1984-05-01 | — | — | US | disclosed |
| US-4298744-A | CHLORINATION OF ISOMERIC ANALOG | THE UPJOHN COMPANY (US) | 1981-11-03 | — | — | US | disclosed |
| US-4275214-A | ANALOGS OF TRICHOLOMIC ACID USEFUL AS INTERMEDIATES IN THE PREPARATION OF AT-125 | THE UPJOHN COMPANY (US) | 1981-06-23 | — | — | US | disclosed |
| US-4256898-A | INTERMEDIATES FOR MAKING (ALPHAS, 5S)-ALPHA-AMINO-3-CHLORO-2-ISOXAZOLINE-5-ACETIC ACID (AT-125) | THE UPJOHN COMPANY (US) | 1981-03-17 | — | — | US | disclosed |