Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11159476 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TDP1RAB9ANPC1GAA | |
| SCHEMBL9851135 | 0.77 | TDP1 (0.59) | ALDH1A1TDP1RAB9ANPC1GAA | |
| SCHEMBL9757552 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TDP1RAB9ANPC1GAA | |
| SCHEMBL5242624 | 0.75 | CYP3A4 (0.62) | ALDH1A1TDP1RAB9ANPC1GAA | |
| SCHEMBL7179895 | 0.75 | MAPT (0.54) | ALDH1A1TDP1RAB9ANPC1GAA | |
| Ammonia Solution, Strong SCHEMBL720797 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TDP1RAB9ANPC1GAA | |
| SCHEMBL16657366 | 0.71 | ALDH1A1 (0.45) | ALDH1A1TDP1RAB9ANPC1GAA | |
| SCHEMBL24011046 | 0.70 | MAPT (0.49) | ALDH1A1TDP1RAB9AGAASMN1; SMN2 | |
| SCHEMBL31069449 | 0.70 | ALDH1A1 (0.59) | ALDH1A1TDP1RAB9ANPC1GAA | |
| SCHEMBL899333 | 0.70 | ALDH1A1 (0.59) | ALDH1A1TDP1RAB9ANPC1GAA |
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-6997961-B2 | N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives | WELLA AG (DE) | 2006-02-14 | — | — | US | disclosed |
| US-20050081310-A1 | N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives | HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2005-04-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050081310-A1 | N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives | KRT18, VIM, KPNB1 | ALDH1A1 1454/4885TDP1 3427/4885RAB9A 3157/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.