Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | PRKDC | P78527 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9536698 | 0.91 | HPRT1 (0.47) | ALDH1A1HPGDLMNACYP2C19TSHR | |
| SCHEMBL9536493 | 0.88 | ALDH1A1 (0.39) | ALDH1A1HPGDLMNACYP2C19TSHR | |
| SCHEMBL11711383 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HPGDLMNACYP2C19TSHR | |
| SCHEMBL10411984 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNACYP2C19TSHR | |
| SCHEMBL6142913 | 0.77 | ADORA2A (0.49) | ALDH1A1KMT2AMCL1ADORA1HDAC6 | |
| SCHEMBL31121804 | 0.76 | STING1 (0.43) | CYP2A6KDM4EHTTHDAC6 | |
| SCHEMBL9526537 | 0.76 | SLC2A1 (0.40) | ALDH1A1HPGDLMNACYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL9526852 | 0.75 | SLC2A1 (0.39) | ALDH1A1HPGDLMNACYP2C19TSHR | |
| SCHEMBL11663319 | 0.75 | MAPT (0.62) | ALDH1A1HPGDLMNACYP2C19TSHR | |
| SCHEMBL23218553 | 0.74 | LOXL2 (0.41) | ALDH1A1CYP2A6KDM4EMAPTCYP2D6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0183439-B1 | POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-02-03 | — | — | EP | disclosed |
| US-5075455-A | Microbiocides, antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-12-24 | — | — | US | disclosed |
| US-5049581-A | Dibenzofurans having anti-tumor activity | BURROUGHS WELLCOME CO. (US) | 1991-09-17 | — | — | US | disclosed |
| US-5017600-A | Antitumor | BURROUGHS WELLCOME CO. (US) | 1991-05-21 | — | — | US | disclosed |
| US-5008286-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-04-16 | — | — | US | disclosed |
| US-4970227-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1990-11-13 | — | — | US | disclosed |
| US-4965285-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-10-23 | — | — | US | disclosed |
| US-4866070-A | ANTITUMOR AGENT | BURROUGHS WELLCOME CO. (US) | 1989-09-12 | — | — | US | disclosed |
| EP-0183439-A2 | Polycyclic compounds, their preparation and use and formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-06-04 | — | — | EP | disclosed |